⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21024318 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL19657598 | 0.78 | NR4A2 (0.35) | — | |
| SCHEMBL16205349 | 0.76 | BRPF1 (0.47) | — | |
| SCHEMBL19644386 | 0.72 | NR4A2 (0.54) | — | |
| SCHEMBL22822744 | 0.71 | LMNA (0.30) | — | |
| SCHEMBL4301614 | 0.70 | CSNK2A1 (0.56) | — | |
| SCHEMBL16205508 | 0.68 | MAPT (0.44) | — | |
| SCHEMBL4300488 | 0.65 | CYP1A2 (0.63) | — | |
| SCHEMBL20487884 | 0.63 | BRPF1 (0.46) | — | |
| SCHEMBL30993273 | 0.62 | AR (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 |
|---|---|---|---|---|---|---|---|
| WO-2017205536-A2 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2017-11-30 | — | — | WO | disclosed |