Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 SCHEMBL8528126 | 0.95 | — | — | |
| Nitromethane SCHEMBL28277582 | 0.90 | — | — | |
| Nitromethane SCHEMBL6454876 | 0.90 | — | — | |
| Nitromethane SCHEMBL11049971 | 0.90 | — | — | |
| Nitromethane SCHEMBL11049968 | 0.90 | — | — | |
| Nitromethane SCHEMBL14686120 | 0.90 | — | — | |
| Nitromethane SCHEMBL29707679 | 0.89 | — | — | |
| Nitromethane SCHEMBL27366359 | 0.89 | — | — | |
| Nitromethane SCHEMBL525 | 0.89 | — | — | |
| Nitromethane SCHEMBL10735049 | 0.84 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117466852-A | Organic compound, organic electroluminescent device and electronic apparatus | 陕西莱特光电材料股份有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-107922436-A | Tricyclic compound with sulfinyl or sulfonyl | 盐野义制药株式会社 | 2018-04-17 | — | — | CN | disclosed |
| US-9334289-B2 | Cephem compound having catechol or pseudo-catechol structure | SHIONOGI & CO., LTD. (JP) | 2016-05-10 | — | — | US | disclosed |
| US-9242999-B2 | Cephem compound having pyridinium group | SHIONOGI & CO., LTD. (JP) | 2016-01-26 | — | — | US | disclosed |
| US-9145425-B2 | Cephem compound having catechol group | SHIONOGI & CO., LTD. (JP) | 2015-09-29 | — | — | US | disclosed |
| US-20140114060-A1 | CEPHEM COMPOUND HAVING PYRIDINIUM GROUP | SHIONOGI & CO., LTD. (JP) | 2014-04-24 | — | — | US | disclosed |
| US-20140088302-A1 | NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE | SHIONOGI & CO., LTD. (JP) | 2014-03-27 | — | — | US | disclosed |
| EP-2703406-A1 | NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE | Shionogi & Co., Ltd. (JP) | 2014-03-05 | — | — | EP | disclosed |
| US-20130102583-A1 | CEPHEM COMPOUND HAVING CATECHOL GROUP | SHIONOGI & CO., LTD. (JP) | 2013-04-25 | — | — | US | disclosed |
| EP-2557082-A1 | CEPHEM COMPOUND HAVING CATECHOL GROUP | Shionogi & Co., Ltd. (JP) | 2013-02-13 | — | — | EP | disclosed |
| WO-2007122628-A1 | IMPROVED PROCESS FOR PREPARATION OF HIGHLY PURE CEFOTETAN DISODIUM | LUPIN LIMITED (IN) | 2007-11-01 | — | — | WO | disclosed |
| US-5210353-A | Transarylalkylation | AMOCO CORPORATION (US) | 1993-05-11 | — | — | US | disclosed |
| US-4130299-A | AROMATIC HYDROCARBON | MONSANTO COMPANY (US) | 1978-12-19 | — | — | US | disclosed |
| US-4011166-A | HYDROCARBON OILS FROM BENZENE AND OLEFINS | BRAY OIL COMPANY (US) | 1977-03-08 | — | — | US | disclosed |