⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10787102 | 0.72 | — | — | |
| SCHEMBL10865698 | 0.69 | PSIP1 (0.30) | — | |
| SCHEMBL9619694 | 0.66 | LOX (0.36) | — | |
| SCHEMBL9232612 | 0.64 | — | — | |
| SCHEMBL9484484 | 0.64 | CYP1A2 (0.32) | — | |
| SCHEMBL27135949 | 0.61 | — | — | |
| SCHEMBL11551484 | 0.61 | — | — | |
| SCHEMBL27431171 | 0.61 | ALDH1A1 (0.43) | — | |
| SCHEMBL933722 | 0.60 | — | — | |
| SCHEMBL21708252 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0285571-B1 | REACTIVE DYES, THEIR PREPARATION AND THEIR USE | CIBA-GEIGY AG (CH) | 1992-02-05 | — | — | EP | disclosed |
| EP-0235729-B1 | REACTIVE DYES | BAYER AG (DE) | 1990-12-19 | — | — | EP | disclosed |
| US-4968781-A | COTTON | CIBA-GEIGY CORPORATION (US) | 1990-11-06 | — | — | US | disclosed |
| EP-0285571-A2 | Reactive dyes, their preparation and their use | CIBA-GEIGY AG (CH) | 1988-10-05 | — | — | EP | disclosed |
| US-4709018-A | COLORFAST | CIBA-GEIGY CORPORATION (US) | 1987-11-24 | — | — | US | disclosed |
| EP-0235729-A2 | Reactive dyes | BAYER AG (DE) | 1987-09-09 | — | — | EP | disclosed |
| US-4680384-A | PYRIMIDINE DYES | CIBA-GEIGY CORPORATION (US) | 1987-07-14 | — | — | US | disclosed |
| EP-0141776-A1 | Reactive dyes, their preparation and their use | CIBA-GEIGY AG (CH) | 1985-05-15 | — | — | EP | disclosed |
| US-4325869-A | CONTAINING A PYRIMIDINE RING AND ONE OR MORE AZO GROUPS | CIBA-GEIGY CORPORATION (US) | 1982-04-20 | — | — | US | disclosed |