⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9619836 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL9619928 | 0.78 | GSR (0.36) | — | |
| SCHEMBL9619772 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL10787110 | 0.74 | LOX (0.33) | — | |
| SCHEMBL9619916 | 0.72 | CA2 (0.50) | — | |
| SCHEMBL9620046 | 0.68 | — | — | |
| SCHEMBL9619835 | 0.67 | GSR (0.46) | — | |
| SCHEMBL9619744 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL10785633 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL9619922 | 0.62 | GAA (0.32) | — |
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 5 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 |
| US-4968781-A | COTTON | CIBA-GEIGY CORPORATION (US) | 1990-11-06 | — | — | US | disclosed |
| US-4709018-A | COLORFAST | CIBA-GEIGY CORPORATION (US) | 1987-11-24 | — | — | US | disclosed |
| US-4680384-A | PYRIMIDINE DYES | CIBA-GEIGY CORPORATION (US) | 1987-07-14 | — | — | US | disclosed |
| US-4325869-A | CONTAINING A PYRIMIDINE RING AND ONE OR MORE AZO GROUPS | CIBA-GEIGY CORPORATION (US) | 1982-04-20 | — | — | US | disclosed |