⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24725732 | 0.79 | CYP19A1 (0.36) | — | |
| SCHEMBL10605553 | 0.77 | CYP19A1 (0.38) | — | |
| SCHEMBL10065550 | 0.77 | HTR1A (0.40) | — | |
| SCHEMBL27633913 | 0.74 | FOLH1 (0.36) | — | |
| SCHEMBL10090899 | 0.74 | HTR1A (0.38) | — | |
| SCHEMBL251196 | 0.72 | — | — | |
| SCHEMBL10602777 | 0.72 | DNM1 (0.36) | — | |
| SCHEMBL10600908 | 0.71 | CYP19A1 (0.35) | — | |
| SCHEMBL11361006 | 0.71 | CYP19A1 (0.48) | — | |
| SCHEMBL10424811 | 0.71 | CYP19A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0160620-B1 | METAL DEACTIVATORS | CIBA-GEIGY AG (CH) | 1989-09-13 | — | — | EP | claimed |
| US-20060264460-A1 | 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same | WYETH (US) | 2006-11-23 | — | — | US | disclosed |