SCHEMBL7919622

SCHEMBL7919622

O=[N+]([O-])OCC(O)CCO

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8677171 1.00 THRB (0.39) THRBALDH1A1TDP1GAA
Nitric Acid SCHEMBL28312897 0.85 THRB (0.45) THRB
SCHEMBL2728056 0.84 ALDH1A1 (0.42) ALDH1A1
SCHEMBL12880244 0.83 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9420277 0.82 ALDH1A1 (0.37) THRBALDH1A1
SCHEMBL62389 0.82
Nitric Acid SCHEMBL44182 0.78 CA5A (0.35) ALDH1A1
Ethylene SCHEMBL11768572 0.78 ALDH1A1 (0.34) ALDH1A1
Nitric Acid SCHEMBL15562819 0.78 CA5A (0.35) ALDH1A1
Nitric Acid SCHEMBL7262025 0.78 CA5A (0.35) ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618819-B2 Para-aminobenzoic acid sensitized terbium doped LaF3 nanoparticles for detection of explosive nitro compounds COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-04-14 US claimed
US-20170225963-A1 PARA-AMINOBENZOIC ACID SENSITIZED TERBIUM DOPED LAF3 NANOPARTICLES FOR DETECTION OF EXPLOSIVE NITRO COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-08-10 US claimed
EP-3194936-A1 PARA-AMINOBENZOIC ACID SENSITIZED TERBIUM DOPED LAF3 NANOPARTICLES FOR DETECTION OF EXPLOSIVE NITRO COMPOUNDS Council of Scientific and Industrial Research (IN) 2017-07-26 EP claimed
WO-2016020939-A1 PARA-AMINOBENZOIC ACID SENSITIZED TERBIUM DOPED LAF3 NANOPARTICLES FOR DETECTION OF EXPLOSIVE NITRO COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-02-11 WO claimed
EP-2654455-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP Assets B.V. (NL) 2013-10-30 EP claimed
WO-2012084629-A1 USE OF NITROOXY ORGANIC MOLECULES IN FEED FOR REDUCING METHANE EMISSION IN RUMINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2012-06-28 WO claimed
JP-2001517697-A 2001-10-09 JP claimed
EP-1019038-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE AND IRRITABLE BOWEL SYNDROME RHODES, John (GB) 2000-07-19 EP claimed
WO-1999016436-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE AND IRRITABLE BOWEL SYNDROME RHODES JOHN (GB) 1999-04-08 WO claimed
US-20250186566-A1 CELL-BASED VACCINES ARKEA BIO CORP (US) 2025-06-12 US disclosed
US-20240189408-A1 COMPOSITIONS AND METHODS FOR REDUCING METHANE EMISSIONS IN RUMINANT POPULATIONS Arkea Bio Corp. 2024-06-13 US disclosed
CN-114085128-B Method for separating and purifying 1,2,4-butanetriol based on difunctional ionic liquid 中国科学院过程工程研究所 2024-02-20 CN disclosed
US-20240009291-A1 COMPOSITIONS AND METHODS FOR REDUCING METHANE EMISSIONS IN RUMINANT POPULATIONS Arkea Bio Corp. 2024-01-11 US disclosed
CN-114085128-A Method for separating and purifying 1,2,4-butanetriol based on bifunctional ionic liquid 雅邦绿色过程与新材料研究院南京有限公司 2022-02-25 CN disclosed
WO-2015018726-A1 USE OF A FEED COMPOSITION FOR REDUCING METHANE EMISSION IN RU-MINANTS, AND/OR TO IMPROVE RUMINANT PERFORMANCE DSM IP ASSETS B.V. (NL) 2015-02-12 WO disclosed
EP-1019038-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE AND IRRITABLE BOWEL SYNDROME RHODES, John (GB) 2000-07-19 EP disclosed
WO-1999016436-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE AND IRRITABLE BOWEL SYNDROME RHODES JOHN (GB) 1999-04-08 WO disclosed
EP-0837941-A1 DETECTION AND BIODEGRADATION OF EXPLOSIVES THE SECRETARY OF STATE FOR DEFENCE (GB) 1998-04-29 EP disclosed
WO-1997003201-A1 DETECTION AND BIODEGRADATION OF EXPLOSIVES THE SECRETARY OF STATE FOR DEFENCE (GB) 1997-01-30 WO disclosed
US-5504117-A Pharmacologic preparation for the treatment of anal disorders NEPTUNE PHARMACEUTICAL CORPORATION (US) 1996-04-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250186566-A1 CELL-BASED VACCINES HAGH, HSD17B10, FH THRB 4101/4885ALDH1A1 1304/4885TDP1 3052/4885
US-20240009291-A1 COMPOSITIONS AND METHODS FOR REDUCING METHANE EMISSIONS IN RUMINANT POPULATIONS MT-CO2, CYB5R3, COX5A THRB 3931/4885ALDH1A1 1529/4885TDP1 3816/4885
US-20240189408-A1 COMPOSITIONS AND METHODS FOR REDUCING METHANE EMISSIONS IN RUMINANT POPULATIONS MT-CO2, CYB5R3, COX5A THRB 3931/4885ALDH1A1 1529/4885TDP1 3816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.