⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8855187 | 0.76 | ACHE (0.42) | — | |
| SCHEMBL28646626 | 0.70 | TRPA1 (0.33) | — | |
| SCHEMBL28638325 | 0.70 | TRPA1 (0.33) | — | |
| SCHEMBL28849212 | 0.67 | PDE2A (0.35) | — | |
| SCHEMBL14969399 | 0.61 | MIF (0.36) | — | |
| SCHEMBL944451 | 0.61 | EPHX2 (0.50) | — | |
| SCHEMBL27838295 | 0.61 | HSD17B10 (0.33) | — | |
| SCHEMBL23292663 | 0.59 | EPHX2 (0.40) | — | |
| SCHEMBL945542 | 0.57 | LTA4H (0.63) | — | |
| SCHEMBL29100498 | 0.56 | CYP3A4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109293865-B | Polymerizable composition for plastic lenses | SKC株式会社 | 2021-09-24 | — | — | CN | disclosed |