⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12964083 | 0.75 | LMNA (0.40) | — | |
| SCHEMBL22219455 | 0.71 | SIGMAR1 (0.33) | — | |
| SCHEMBL30867032 | 0.71 | ACHE (0.42) | — | |
| SCHEMBL5616902 | 0.71 | ACHE (0.42) | — | |
| SCHEMBL15589318 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL24359602 | 0.69 | DHFR (0.35) | — | |
| SCHEMBL21415482 | 0.69 | HDAC1 (0.31) | — | |
| SCHEMBL24455151 | 0.69 | — | — | |
| SCHEMBL16104754 | 0.69 | — | — | |
| SCHEMBL10061283 | 0.68 | CYP3A4 (0.52) | — |
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-2018125800-A2 | METALLOENZYME INHIBITOR COMPOUNDS | VIAMET PHARMACEUTICALS (BERMUDA), LTD. (BM) | 2018-07-05 | — | — | WO | disclosed |