⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3513093 | 0.85 | MAPT (0.36) | — | |
| SCHEMBL2553738 | 0.84 | CYP1A2 (0.33) | — | |
| SCHEMBL3940066 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL13523967 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL29955232 | 0.80 | CA12 (0.38) | — | |
| SCHEMBL3942257 | 0.80 | — | — | |
| Formic Acid SCHEMBL8568903 | 0.80 | CYP1A2 (0.50) | — | |
| Diethylaminoethanol SCHEMBL5027749 | 0.80 | CYP1A2 (0.45) | — | |
| SCHEMBL23226889 | 0.79 | CYP1A2 (0.45) | — | |
| SCHEMBL9288809 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |
| US-7973030-B2 | Benzothiazepine and benzothiepine compounds | ASAHI KASEI PHARMA CORPORATION (JP) | 2011-07-05 | — | — | US | disclosed |