SCHEMBL169656

SCHEMBL169656

O=[N+](OCC1CO1)OCC1CO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
ALDH1A1 P00352 9/20 0.41
MAPK1 P28482 1/20 0.38
TP53 P04637 5/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 3/20 0.35
HIF1A Q16665 2/20 0.34
PKM P14618 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
GLA P06280 1/20 0.32
HBB P68871 1/20 0.32
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9191220 1.00 TSHR (0.42) TSHRALDH1A1MAPK1TP53CYP3A4
SCHEMBL9191858 1.00 TSHR (0.42) TSHRALDH1A1MAPK1TP53CYP3A4
Trimethylammonium SCHEMBL9503898 0.91 ALDH1A1 (0.40) TSHRALDH1A1MAPK1TP53CYP3A4
SCHEMBL169655 0.80
SCHEMBL9191856 0.80
Propane SCHEMBL6827223 0.75 SMN1; SMN2 (0.39) TSHRALDH1A1MAPK1TP53CYP3A4
Benzene SCHEMBL8919088 0.75 TDP1 (0.42) TSHRALDH1A1TP53CYP3A4SMN1; SMN2
SCHEMBL274308 0.75 LMNA (0.49) TSHRALDH1A1TP53SMN1; SMN2LMNA
Trimethylammonium SCHEMBL9503885 0.73 ALDH1A1 (0.38) TSHRALDH1A1MAPK1TP53CYP3A4
SCHEMBL2465459 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139245-B1 MATERIAL AND GENERATOR FOR GENERATING HYDROGEN GAS TNO (NL) 2025-11-05 EP claimed
US-20250236568-A1 PHOTOCURABLE AND COMBUSTIBLE COMPOSITION AND USE THEREOF XI'AN MODERN CHEMISTRY RESEARCH INSTITUTE (CN) 2025-07-24 US claimed
CN-118125892-A Solid propellant grain with complex configuration and rapid forming method thereof 湖北航天化学技术研究所 2024-06-04 CN claimed
WO-2024006012-A2 COMPOSITE POWDER CONTAINING PRIMARY NANOPARTICLES OF ALUMINUM OR ALUMINUM OXIDE Helicon Chemical Company (US) 2024-01-04 WO claimed
US-11814330-B2 Resonant acoustic mixing (RAM) of an explosive composition BAE SYSTEMS PLC (GB) 2023-11-14 US claimed
US-11802098-B2 Process for making and filling a PBX composition BAE SYSTEMS PLC (GB) 2023-10-31 US claimed
US-20230183198-A1 METHODS OF PRODUCING GLYCIDYL NITRATE AND RELATED SYSTEMS NORTHROP GRUMMAN SYSTEMS CORPORATION 2023-06-15 US claimed
US-20230138747-A1 Material and Generator for Generating Hydrogen Gas NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 2023-05-04 US claimed
EP-4139245-A1 MATERIAL AND GENERATOR FOR GENERATING HYDROGEN GAS Nederlandse Organisatie voor toegepast-natuurwetenschappelijk Onderzoek TNO (NL) 2023-03-01 EP claimed
US-11535707-B1 Process for preparing light curable energetic binder UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2022-12-27 US claimed
EP-0689527-A1 PHASE-STABILIZED AMMONIUM NITRATE AND METHOD OF MAKING SAME THIOKOL CORP (US) 1996-01-03 EP claimed
EP-0485099-B1 Isotactic poly(glycidyl nitrate) and synthesis thereof THIOKOL CORP (US) 1995-12-20 EP claimed
US-5380777-A Polyglycidyl nitrate plasticizers THIOKOL CORPORATION (US) 1995-01-10 US claimed
WO-1994024073-A1 PROPELLANT FORMULATIONS BASED ON DINITRAMIDE SALTS AND ENERGETIC BINDERS THIOKOL CORPORATION (US) 1994-10-27 WO claimed
WO-1994017015-A1 PHASE-STABILIZED AMMONIUM NITRATE AND METHOD OF MAKING SAME THIOKOL CORPORATION (US) 1994-08-04 WO claimed
US-5292387-A Phase-stabilized ammonium nitrate and method of making same THIOKOL CORPORATION (US) 1994-03-08 US claimed
US-5162494-A ISOTACTIC POLY(GLYDICYL NITRATE) AND SYNTHESIS THEREOF THIOKOL CORPORATION (US) 1992-11-10 US claimed
US-5120827-A Catalyst-initiator complex is formed and reacted with glycidyl nitrate; cyclic oligomer formation is suprressed THIOKOL CORPORATION (US) 1992-06-09 US claimed
EP-0485099-A1 Isotactic poly(glycidyl nitrate) and synthesis thereof THIOKOL CORPORATION (US) 1992-05-13 EP claimed
EP-0471489-A2 Process of producing improved poly(glycidyl nitrate) THIOKOL CORPORATION (US) 1992-02-19 EP claimed

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

For each of this compound's patents that has machine-readable text (1 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-20230183198-A1 METHODS OF PRODUCING GLYCIDYL NITRATE AND RELATED SYSTEMS GMPS, PTGIS, GK TSHR 3650/4885ALDH1A1 3028/4885MAPK1 2747/4885

“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.