⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9337359 | 0.85 | — | — | |
| SCHEMBL9816532 | 0.85 | APEX1 (0.32) | — | |
| SCHEMBL9816569 | 0.81 | — | — | |
| SCHEMBL9816580 | 0.80 | TSHR (0.41) | — | |
| SCHEMBL9816708 | 0.79 | RELA (0.33) | — | |
| SCHEMBL9816370 | 0.78 | ALDH1A1 (0.50) | — | |
| SCHEMBL8432660 | 0.78 | CA1 (0.31) | — | |
| SCHEMBL10618161 | 0.78 | CA1 (0.33) | — | |
| SCHEMBL9816627 | 0.77 | ALDH1A1 (0.48) | — | |
| SCHEMBL9816529 | 0.77 | ALDH1A1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0174909-B1 | REACTIVE DYES, THEIR PREPARATION AND THEIR USE | CIBA-GEIGY AG (CH) | 1991-10-16 | — | — | EP | disclosed |
| US-4841028-A | FOR COLD PAD-BATCH PROCESS | HUNTSMAN INTERNATIONAL LLC | 1989-06-20 | — | — | US | disclosed |
| US-4709018-A | COLORFAST | CIBA-GEIGY CORPORATION (US) | 1987-11-24 | — | — | US | disclosed |
| EP-0076782-B1 | REACTIVE DYESTUFFS, THEIR PREPARATION AND THEIR USE | CIBA-GEIGY AG (CH) | 1986-03-05 | — | — | EP | disclosed |
| EP-0076782-A2 | Reactive dyestuffs, their preparation and their use | CIBA-GEIGY AG (CH) | 1983-04-13 | — | — | EP | disclosed |
| EP-0074928-A2 | Reactive dyestuffs, their preparation and their use | CIBA-GEIGY AG (CH) | 1983-03-23 | — | — | EP | disclosed |