⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23868178 | 1.00 | — | — | |
| SCHEMBL24917922 | 1.00 | — | — | |
| SCHEMBL88569 | 0.86 | — | — | |
| SCHEMBL96320 | 0.86 | — | — | |
| SCHEMBL254110 | 0.86 | — | — | |
| SCHEMBL23640635 | 0.84 | CYP1A2 (0.52) | — | |
| SCHEMBL23023340 | 0.84 | CYP1A2 (0.52) | — | |
| SCHEMBL96731 | 0.84 | CYP1A2 (0.52) | — | |
| SCHEMBL24922745 | 0.82 | GBA1 (0.37) | — | |
| SCHEMBL2918065 | 0.79 | CHRNB4 (0.34) | — |
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-2023086383-A1 | SELECT KRAS G12C INHIBITORS AND USES THEREOF | 1200 PHARMA LLC (US) | 2023-05-19 | — | — | WO | disclosed |
| WO-2023006097-A1 | BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER | 海创药业股份有限公司 | 2023-02-02 | — | — | WO | disclosed |
| WO-2019027960-A1 | PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2019-02-07 | — | — | WO | disclosed |