⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22737913 | 0.92 | TP53 (0.30) | — | |
| SCHEMBL21189700 | 0.78 | CHRM2 (0.36) | — | |
| SCHEMBL22737915 | 0.76 | — | — | |
| SCHEMBL21189703 | 0.76 | CYP19A1 (0.33) | — | |
| SCHEMBL21189420 | 0.73 | CYP3A4 (0.38) | — | |
| SCHEMBL22991305 | 0.72 | — | — | |
| SCHEMBL22991695 | 0.72 | — | — | |
| SCHEMBL23861431 | 0.70 | ALDH1A1 (0.41) | — | |
| SCHEMBL21189689 | 0.70 | SLC6A4 (0.32) | — | |
| SCHEMBL21189663 | 0.67 | ESR1 (0.30) | — |
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-2019142897-A1 | COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD | 三菱瓦斯化学株式会社 | 2019-07-25 | — | — | WO | disclosed |