⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20047659 | 0.83 | — | — | |
| SCHEMBL23913892 | 0.80 | — | — | |
| SCHEMBL23502437 | 0.78 | — | — | |
| SCHEMBL21672327 | 0.76 | PTGS1 (0.35) | — | |
| SCHEMBL21672326 | 0.74 | TDP1 (0.31) | — | |
| SCHEMBL22916676 | 0.73 | — | — | |
| SCHEMBL18408977 | 0.73 | — | — | |
| SCHEMBL22296116 | 0.73 | — | — | |
| SCHEMBL19441977 | 0.69 | — | — | |
| SCHEMBL21152464 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020211872-A1 | FXR SMALL MOLECULE AGONIST AND PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海药物研究所 | 2020-10-22 | — | — | WO | disclosed |
| US-10675286-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2020-06-09 | — | — | US | disclosed |
| US-20180055852-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2018-03-01 | — | — | US | disclosed |