⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22845159 | 0.67 | — | — | |
| SCHEMBL22845216 | 0.66 | — | — | |
| SCHEMBL22832568 | 0.59 | — | — | |
| SCHEMBL15110885 | 0.57 | CYP11B1 (0.32) | — | |
| SCHEMBL22446192 | 0.57 | KDM4E (0.32) | — | |
| SCHEMBL9535604 | 0.57 | GPR35 (0.38) | — | |
| SCHEMBL17398743 | 0.55 | — | — | |
| SCHEMBL2502076 | 0.55 | HTR2A (0.33) | — | |
| SCHEMBL21205125 | 0.55 | DAO (0.36) | — | |
| SCHEMBL1417323 | 0.55 | PTGS2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020261205-A1 | THIENO[3,2-B]THIOPHENE-2-CARBOXYLIC ACID COMPOUNDS HAVING BCKDK INHIBITING ACTIVITY | PFIZER INC. (US) | 2020-12-30 | — | — | WO | disclosed |