⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14249653 | 0.68 | — | — | |
| SCHEMBL30107576 | 0.67 | DDB1 (0.32) | — | |
| SCHEMBL27586890 | 0.66 | — | — | |
| SCHEMBL2360564 | 0.66 | — | — | |
| SCHEMBL585092 | 0.66 | CYP17A1 (0.36) | — | |
| SCHEMBL31187659 | 0.66 | BTK (0.31) | — | |
| SCHEMBL5451788 | 0.65 | — | — | |
| SCHEMBL27489402 | 0.65 | KDM1A (0.32) | — | |
| SCHEMBL34474146 | 0.64 | DGAT1 (0.32) | — | |
| SCHEMBL7642015 | 0.64 | — | — |
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-113929693-B | Nitrogen-containing heterocyclic compound, pharmaceutical composition and application | 广州费米子科技有限责任公司 | 2023-05-09 | — | — | CN | disclosed |
| EP-4161641-A1 | LPA RECEPTOR ANTAGONISTS AND USES THEREOF | GILEAD SCIENCES, INC. (US) | 2023-04-12 | — | — | EP | disclosed |