⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9722832 | 0.63 | ALDH1A1 (0.42) | — | |
| SCHEMBL30367668 | 0.60 | ACHE (0.34) | — | |
| Hydrochloric Acid SCHEMBL5349541 | 0.59 | — | — | |
| SCHEMBL5275161 | 0.58 | ACHE (0.73) | — | |
| SCHEMBL5350851 | 0.57 | MAPK8 (0.39) | — | |
| SCHEMBL511158 | 0.57 | — | — | |
| SCHEMBL4435103 | 0.55 | — | — | |
| SCHEMBL9854226 | 0.54 | CA1 (0.37) | — | |
| SCHEMBL2174072 | 0.53 | — | — | |
| SCHEMBL20547768 | 0.53 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4994563-A | Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness | CIBA-GEIGY CORPORATION (US) | 1991-02-19 | — | — | US | claimed |
| EP-0349486-A2 | Azo dyes, their preparation and their use | CIBA-GEIGY AG (CH) | 1990-01-03 | — | — | EP | claimed |
| US-5120872-A | Textile dyeing | CIBA-GEIGY CORPORATION (US) | 1992-06-09 | — | — | US | disclosed |
| US-4994563-A | Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness | CIBA-GEIGY CORPORATION (US) | 1991-02-19 | — | — | US | disclosed |