⚠ 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 | |
|---|---|---|---|---|
| Nitrosobenzene SCHEMBL3176061 | 0.97 | — | — | |
| Nitrosobenzene SCHEMBL28014686 | 0.97 | ALDH1A1 (0.59) | — | |
| Nitrosobenzene SCHEMBL103117 | 0.97 | — | — | |
| Nitrosobenzene SCHEMBL7961436 | 0.93 | — | — | |
| Nitrosobenzene SCHEMBL26970890 | 0.93 | — | — | |
| Nitrosobenzene SCHEMBL28230134 | 0.93 | — | — | |
| Nitrosobenzene SCHEMBL30901881 | 0.93 | — | — | |
| Nitrosobenzene SCHEMBL27874353 | 0.93 | — | — | |
| Nitrosobenzene SCHEMBL7961435 | 0.90 | — | — | |
| Nitrosobenzene SCHEMBL27565281 | 0.90 | ALDH1A1 (0.54) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102424704-B | Modified water-dispersible polyisocyanate | WUJIANG BEIKU SHENGYUAN TEXTILE PRODUCT AUXILIARIES FACTORY | 2013-05-15 | — | — | CN | claimed |
| CN-102424704-A | Modified water-dispersible polyisocyanates | WUJIANG BEIKU SHENGYUAN TEXTILE PRODUCT AUXILIARIES FACTORY | 2012-04-25 | — | — | CN | claimed |
| CN-100436495-C | Production of irregular phenylethylene/norbornene multipolymer | CHINA PETROCHEMICAL CORP (CN) | 2008-11-26 | — | — | CN | claimed |
| CN-1817923-A | Production of irregular phenylethylene/norbornene multipolymer | CHINA PETROCHEMICAL CORP (CN) | 2006-08-16 | — | — | CN | claimed |
| CN-102424704-B | Modified water-dispersible polyisocyanate | WUJIANG BEIKU SHENGYUAN TEXTILE PRODUCT AUXILIARIES FACTORY | 2013-05-15 | — | — | CN | disclosed |
| CN-102424704-A | Modified water-dispersible polyisocyanates | WUJIANG BEIKU SHENGYUAN TEXTILE PRODUCT AUXILIARIES FACTORY | 2012-04-25 | — | — | CN | disclosed |
| CN-100436495-C | Production of irregular phenylethylene/norbornene multipolymer | CHINA PETROCHEMICAL CORP (CN) | 2008-11-26 | — | — | CN | disclosed |
| CN-100395268-C | N-N double teeth ligand, three-coordination monovalence nickel olefin polymerization catalyst, and its prepn. method | UNIV FUDAN (CN) | 2008-06-18 | — | — | CN | disclosed |
| CN-1817923-A | Production of irregular phenylethylene/norbornene multipolymer | CHINA PETROCHEMICAL CORP (CN) | 2006-08-16 | — | — | CN | disclosed |