⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23113953 | 0.78 | CYP1A2 (0.47) | — | |
| SCHEMBL26050798 | 0.75 | — | — | |
| SCHEMBL23113901 | 0.73 | HTT (0.41) | — | |
| SCHEMBL16815430 | 0.71 | CYP3A4 (0.42) | — | |
| SCHEMBL1561688 | 0.70 | CYP3A4 (0.35) | — | |
| SCHEMBL31567045 | 0.67 | TNF (0.33) | — | |
| SCHEMBL28553252 | 0.67 | — | — | |
| SCHEMBL21996002 | 0.67 | TNF (0.33) | — | |
| SCHEMBL10989330 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL16815680 | 0.67 | NOTUM (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3793994-B1 | INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE | BIOGEN MA INC (US) | 2023-08-23 | — | — | EP | disclosed |