SCHEMBL324868

SCHEMBL324868

O=[N+]([O-])OCCCCCCO[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA9 Q16790 4/20 0.50
ALDH1A1 P00352 1/20 0.46
PTGS2 P35354 1/20 0.38
ESR2 Q92731 3/20 0.36
PDE5A O76074 1/20 0.33

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
SCHEMBL25180667 1.00 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL8957343 1.00 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL1842696 1.00 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL25180691 1.00 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL8957403 1.00 CA12 (0.50) CA12CA1CA2CA4CA9
SCHEMBL25184217 1.00 CA12 (0.50) CA12CA1CA2CA4CA9
Ammonia Solution, Strong SCHEMBL9446994 0.97 CA12 (0.48) CA12CA1CA2CA4CA9
Ammonia Solution, Strong SCHEMBL6736966 0.97 CA12 (0.48) CA12CA1CA2CA4CA9
SCHEMBL1220763 0.97 CA12 (0.48) CA12CA1CA2CA4CA9
SCHEMBL4731008 0.90 CA12 (0.48) CA12CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115832436-A Lithium secondary battery electrolyte with high and low temperature performance and lithium secondary battery 广州天赐高新材料股份有限公司 2023-03-21 CN claimed
CN-113054258-A Novel application of substituted silicon-based phosphate compound, electrolyte and lithium ion battery 广州天赐高新材料股份有限公司 2021-06-29 CN claimed
EP-1079823-A1 COMPOSITIONS COMPRISING ORGANIC MONO- OR DINITRATE FOR TREATING IMPOTENCE BAKER NORTON PHARMACEUTICALS, INC. (US) 2001-03-07 EP claimed
US-6056966-A ORGANIC MONO- OR DINITRATE IN A PHARMACEUTICALLY ACCEPTABLE TOPICAL OR PARENTERAL CARRIER BAKER NORTON PHARMACEUTICALS, INC. (US) 2000-05-02 US claimed
WO-1999059575-A1 COMPOSITIONS COMPRISING ORGANIC MONO- OR DINITRATE FOR TREATING IMPOTENCE BAKER NORTON PHARMACEUTICALS, INC. (US) 1999-11-25 WO claimed
US-5049694-A Cardiovascular disorders CEDONA PHARMACEUTICALS B.V. (NL) 1991-09-17 US claimed
US-12612356-B2 Process for nitrate ester formation of an α,ω-alkanediol monoacylate DSM IP ASSETS B.V. (NL) 2026-04-28 US disclosed
US-12522558-B2 Process for the acylation of an alpha, omega-alkanediol DSM IP ASSETS B.V. (CH) 2026-01-13 US disclosed
WO-2024121144-A1 METHOD FOR PROVIDING APPLICATION DATA FOR APPLYING A METHANE INHIBITOR PRODUCT ON AN AGRICULTURAL FLOODED FIELD BASF SE (DE) 2024-06-13 WO disclosed
WO-2024121139-A1 REDUCING METHANE EMISSIONS OF A FLOODED FIELD BASF SE (DE) 2024-06-13 WO disclosed
EP-4139279-B1 PROCESS FOR THE ACYLATION OF AN ALPHA,OMEGA-ALKANEDIOL DSM IP ASSETS BV (NL) 2024-04-17 EP disclosed
US-20240084208-A1 NEW MIXTURES FOR IMPROVING THE STABILITY OF ADDITIVE PACKAGES BASF SE (DE) 2024-03-14 US disclosed
US-20240034941-A1 NEW MIXTURES FOR IMPROVING OR BOOSTING THE SEPARATION OF WATER FROM FUELS BASF SE (DE) 2024-02-01 US disclosed
EP-0467628-B1 Fuel compositions with enhanced combustion characteristics ETHYL PETROLEUM ADDITIVES INC (US) 1993-12-22 EP disclosed
EP-0537931-A1 Fuel compositions ETHYL PETROLEUM ADDITIVES, INC. (US) 1993-04-21 EP disclosed
EP-0467628-A1 Fuel compositions with enhanced combustion characteristics ETHYL PETROLEUM ADDITIVES, INC. (US) 1992-01-22 EP disclosed
EP-0457589-A1 Fuel compositions with enhanced combustion characteristics ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-11-21 EP disclosed
US-5049694-A Cardiovascular disorders CEDONA PHARMACEUTICALS B.V. (NL) 1991-09-17 US disclosed
EP-0359335-A2 Pharmaceutical composition having relaxing activity which contains a nitrate ester as active substance CEDONA PHARMACEUTICALS B.V. (NL) 1990-03-21 EP disclosed
US-3943820-A Method for charging drill holes with explosive NITRO NOBEL AB (SW) 1976-03-16 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 (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-12612356-B2 Process for nitrate ester formation of an α,ω-alkanediol monoacylate ELOVL3, ELOVL1, PTGES CA12 1956/4885CA1 2237/4885CA2 1637/4885

“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.