⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6423330 | 0.75 | ESR1 (0.31) | — | |
| SCHEMBL28994628 | 0.72 | MAOB (0.45) | — | |
| Ammonia Solution, Strong SCHEMBL10835340 | 0.72 | ALDH1A1 (0.44) | — | |
| SCHEMBL7055869 | 0.71 | MEN1 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL17668111 | 0.70 | — | — | |
| Ammonia Solution, Strong SCHEMBL6844487 | 0.70 | — | — | |
| SCHEMBL15702888 | 0.70 | SGMS2 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL136349 | 0.70 | PON1 (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL439692 | 0.70 | PDCD1 (0.42) | — | |
| Ammonia Solution, Strong SCHEMBL5179938 | 0.69 | KMT2A (0.34) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4931509-A | EPOXY-CONTAINING MONOMER; EXCELLENT VULCANIZING WITH UREAS, QUATERNARY AMMONIUM AND PHOSPHONIUM SALTS AND POLYCARBOXYLIC ACIDS OR ANHYDRIDES | NIPPON ZEON CO., LTD. (JP) | 1990-06-05 | — | — | US | claimed |
| US-5334666-A | Vulcanizable elastomer composition comprising epoxy group-containing elastomer, organic compound having at least two -C(X)-NH-C(Y)-bonds (X=O or S, Y=O or S), quaternary ammonium or phosphonium salt, and optionally a urea or thiourea compound | NIPPON ZEON CO., LTD. (JP) | 1994-08-02 | — | — | US | disclosed |
| EP-0257640-B1 | Vulcanizable elastomer composition | NIPPON ZEON CO (JP) | 1994-03-16 | — | — | EP | disclosed |
| US-4931509-A | EPOXY-CONTAINING MONOMER; EXCELLENT VULCANIZING WITH UREAS, QUATERNARY AMMONIUM AND PHOSPHONIUM SALTS AND POLYCARBOXYLIC ACIDS OR ANHYDRIDES | NIPPON ZEON CO., LTD. (JP) | 1990-06-05 | — | — | US | disclosed |
| EP-0351091-A2 | Vulcanizable epoxy group-containing elastomer compositions | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1990-01-17 | — | — | EP | disclosed |
| EP-0257640-A2 | Vulcanizable elastomer composition | NIPPON ZEON CO., LTD. (JP) | 1988-03-02 | — | — | EP | disclosed |
| US-4650834-A | POLYCARBOXYLIC ACID, QUATERNARY AMMONIUM OR PHOSPHONIUM SALT | NIPPON ZEON CO., LTD. (JP) | 1987-03-17 | — | — | US | disclosed |