⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29133074 | 0.60 | TSHR (0.47) | — | |
| SCHEMBL28758944 | 0.57 | PTGS2 (0.51) | — | |
| SCHEMBL11815728 | 0.56 | PTGS2 (0.59) | — | |
| SCHEMBL29133072 | 0.55 | TSHR (0.47) | — | |
| SCHEMBL360448 | 0.53 | ACMSD (0.47) | — | |
| SCHEMBL24097080 | 0.52 | CYP2A6 (0.47) | — | |
| SCHEMBL8380044 | 0.52 | ACMSD (0.49) | — | |
| SCHEMBL191429 | 0.52 | ACMSD (0.49) | — | |
| SCHEMBL21822872 | 0.51 | CYP2A6 (0.45) | — | |
| SCHEMBL24362428 | 0.51 | HPGD (0.46) | — |
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-117980373-A | Polyester resin | 东洋纺株式会社 | 2024-05-03 | — | — | CN | disclosed |