⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11428280 | 0.85 | DNM1 (0.40) | — | |
| SCHEMBL11428283 | 0.85 | DNM1 (0.40) | — | |
| SCHEMBL11436103 | 0.81 | NFKB1 (0.43) | — | |
| SCHEMBL11423017 | 0.81 | NFKB1 (0.43) | — | |
| SCHEMBL11214342 | 0.78 | — | — | |
| SCHEMBL20099820 | 0.78 | — | — | |
| SCHEMBL11214344 | 0.78 | — | — | |
| SCHEMBL5052172 | 0.78 | NFKB1 (0.46) | — | |
| SCHEMBL5052175 | 0.78 | NFKB1 (0.46) | — | |
| SCHEMBL2207605 | 0.76 | DNM1 (0.47) | — |
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-0085652-B1 | 1,10-SUBSTITUTED 10-AMINO-DECA-3,7-DIENE-NITRILES AND METHOD FOR THEIR PREPARATION | CIBA-GEIGY AG (CH) | 1985-03-13 | — | — | EP | disclosed |
| EP-0085652-A1 | 1,10-Substituted 10-amino-deca-3,7-diene-nitriles and method for their preparation | CIBA-GEIGY AG (CH) | 1983-08-10 | — | — | EP | disclosed |
| EP-0085652-A1 | 1,10-Substituted 10-amino-deca-3,7-diene-nitriles and method for their preparation | CIBA-GEIGY AG (CH) | 1983-08-10 | — | — | EP | disclosed |