Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nitromethane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Nitromethane SCHEMBL9451022 | 0.96 | — | — | |
| Propanol SCHEMBL1484579 | 0.87 | — | — | |
| Alcohol SCHEMBL29129494 | 0.86 | TSHR (0.47) | — | |
| Alcohol SCHEMBL29098766 | 0.86 | TSHR (0.47) | — | |
| Alcohol SCHEMBL28228941 | 0.86 | TSHR (0.47) | — | |
| Alcohol SCHEMBL28381950 | 0.86 | TSHR (0.47) | — | |
| Alcohol SCHEMBL29204851 | 0.86 | TSHR (0.47) | — | |
| Nitric Acid SCHEMBL28394269 | 0.86 | CA5A (0.57) | — | |
| Alcohol SCHEMBL29116846 | 0.86 | TSHR (0.47) | — | |
| Alcohol SCHEMBL28176306 | 0.86 | TSHR (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104370810-B | Montelukast sodium compound | 天津汉瑞药业有限公司 | 2016-10-05 | — | — | CN | disclosed |