⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7553320 | 0.88 | L3MBTL1 (0.39) | — | |
| SCHEMBL14230816 | 0.88 | L3MBTL1 (0.39) | — | |
| SCHEMBL11401966 | 0.88 | L3MBTL1 (0.39) | — | |
| SCHEMBL25733006 | 0.85 | — | — | |
| SCHEMBL3550222 | 0.85 | — | — | |
| SCHEMBL25394100 | 0.85 | — | — | |
| SCHEMBL22132057 | 0.85 | ALDH1A1 (0.47) | — | |
| SCHEMBL17800115 | 0.85 | ALDH1A1 (0.47) | — | |
| SCHEMBL13100709 | 0.84 | — | — | |
| SCHEMBL18902398 | 0.82 | — | — |
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-20230295096-A1 | PYRAZOLE CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV | ASSEMBLY BIOSCIENCES INC (US) | 2023-09-21 | — | — | US | disclosed |
| EP-3121193-A2 | PLANT CYTOCHROME P450 | Sun Pharmaceutical Industries (Australia) Pty Limited (AU) | 2017-01-25 | — | — | EP | disclosed |