⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21185467 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL21185462 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL21185509 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL21185415 | 0.59 | MGLL (0.42) | — | |
| SCHEMBL21185477 | 0.58 | — | — | |
| SCHEMBL21185503 | 0.57 | MEN1 (0.32) | — | |
| SCHEMBL21185481 | 0.57 | CYP3A4 (0.31) | — | |
| SCHEMBL21185502 | 0.55 | — | — | |
| SCHEMBL17123721 | 0.55 | ALOX5 (0.50) | — | |
| SCHEMBL21185500 | 0.54 | ALDH1A1 (0.35) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019142538-A1 | COMPOSITION, CURABLE COMPOSITION, AND COMPOUND | 富士フイルム株式会社 | 2019-07-25 | — | — | WO | disclosed |