⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14434303 | 0.63 | — | — | |
| SCHEMBL29190482 | 0.62 | CYP3A4 (0.39) | — | |
| SCHEMBL30537747 | 0.61 | — | — | |
| SCHEMBL6244380 | 0.60 | — | — | |
| SCHEMBL29105242 | 0.60 | MAPT (0.30) | — | |
| SCHEMBL7895545 | 0.59 | — | — | |
| SCHEMBL7707622 | 0.59 | — | — | |
| SCHEMBL29437748 | 0.58 | — | — | |
| SCHEMBL1470912 | 0.58 | — | — | |
| SCHEMBL28848468 | 0.58 | SRD5A2 (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 |
|---|---|---|---|---|---|---|---|
| CN-119529264-A | Thiol compound containing fluoropolyether group | 大金工业株式会社 | 2025-02-28 | — | — | CN | disclosed |