⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22800072 | 0.77 | CAPN1 (0.34) | — | |
| SCHEMBL22799638 | 0.71 | KDM4E (0.38) | — | |
| SCHEMBL22800763 | 0.69 | JAK3 (0.52) | — | |
| SCHEMBL22800056 | 0.67 | TEAD3 (0.33) | — | |
| SCHEMBL22800074 | 0.66 | ICMT (0.35) | — | |
| SCHEMBL24444095 | 0.66 | RAB9A (0.48) | — | |
| SCHEMBL22800061 | 0.65 | GABRA1 (0.40) | — | |
| SCHEMBL22800761 | 0.64 | FAAH (0.37) | — | |
| SCHEMBL22800153 | 0.63 | PTGER4 (0.34) | — | |
| SCHEMBL22896455 | 0.62 | RAB9A (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200392157-A1 | CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF | Knobbe, Martens, Olson & Bear, LLP | 2020-12-17 | — | — | US | disclosed |