⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL42788 | 0.82 | — | — | |
| SCHEMBL477930 | 0.82 | — | — | |
| SCHEMBL477952 | 0.82 | — | — | |
| SCHEMBL10665033 | 0.82 | — | — | |
| SCHEMBL5943339 | 0.74 | — | — | |
| SCHEMBL15402562 | 0.74 | — | — | |
| SCHEMBL30110361 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL3908783 | 0.74 | — | — | |
| SCHEMBL29154599 | 0.74 | DNM1 (0.35) | — | |
| SCHEMBL477980 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117098759-A | Heterocyclic compounds and their use | 组合化学工业株式会社 | 2023-11-21 | — | — | CN | disclosed |
| US-6492364-B1 | Triazolo and derivatives as chemokine inhibitors | TORAY INDUSTRIES, INC. (JP) | 2002-12-10 | — | — | US | disclosed |