⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4849105 | 0.86 | CA2 (0.41) | — | |
| SCHEMBL12287446 | 0.80 | NAAA (0.48) | — | |
| SCHEMBL4854022 | 0.80 | — | — | |
| SCHEMBL9936704 | 0.80 | TSHR (0.43) | — | |
| SCHEMBL29075 | 0.78 | — | — | |
| SCHEMBL18470077 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL8643034 | 0.78 | — | — | |
| SCHEMBL2842381 | 0.78 | — | — | |
| SCHEMBL2610085 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL11413043 | 0.77 | ALDH1A1 (0.40) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4315855-A | Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group | BASF AKTIENGESELLSCHAFT (DE) | 1982-02-16 | — | — | US | claimed |
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |
| US-4315855-A | Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group | BASF AKTIENGESELLSCHAFT (DE) | 1982-02-16 | — | — | US | disclosed |
| US-4283331-A | FIBER-REACTIVE DYES | CIBA-GEIGY CORPORATION (US) | 1981-08-11 | — | — | US | disclosed |
| US-4243809-A | 5-SULFONYL-6-HYDROXYPYRIDONES OR THE 3-CARBAMOYL DERIVATIVES; SULFONYLATION WITH AN ALKYL SULFONYL HALIDE | CIBA-GEIGY CORPORATION (US) | 1981-01-06 | — | — | US | disclosed |
| US-4229345-A | (2-Chloro-4-cyanophenyl) (4-dialkylaminophenyl)-diazine dye useful for transfer printing | BASF AKTIENGESELLSCHAFT (DE) | 1980-10-21 | — | — | US | disclosed |