⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL151603 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL25378090 | 0.91 | ALDH1A1 (0.37) | — | |
| SCHEMBL10433081 | 0.89 | — | — | |
| SCHEMBL28287891 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL131131 | 0.82 | ALDH1A1 (0.39) | — | |
| SCHEMBL9864501 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL6050016 | 0.81 | — | — | |
| Cyclohexane SCHEMBL4981074 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL105924 | 0.80 | ALDH1A1 (0.42) | — | |
| SCHEMBL28120054 | 0.79 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0421215-A2 | Process for the preparation of light and exhaust gas resistant PUH elastomer fibres and films and the elastomer fibres with the corresponding composition | BAYER AG (DE) | 1991-04-10 | — | — | EP | claimed |
| EP-0427979-A2 | Aqueous coating compound and the use of water-dispersible polyurethane-polyurea as a binder | BAYER AG (DE) | 1991-05-22 | — | — | EP | disclosed |
| EP-0339415-A2 | Aqueous cellulose ester dispersions and their preparation | Wolff Walsrode Aktiengesellschaft (DE) | 1989-11-02 | — | — | EP | disclosed |