⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16502298 | 0.67 | — | — | |
| SCHEMBL20000446 | 0.64 | — | — | |
| SCHEMBL22926663 | 0.61 | TDP1 (0.32) | — | |
| SCHEMBL17472285 | 0.59 | — | — | |
| SCHEMBL19250495 | 0.58 | TDP1 (0.33) | — | |
| SCHEMBL10058109 | 0.56 | — | — | |
| SCHEMBL3895110 | 0.55 | — | — | |
| SCHEMBL10529522 | 0.53 | — | — | |
| SCHEMBL13130714 | 0.52 | — | — | |
| SCHEMBL11552509 | 0.51 | — | — |
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-2018093569-A1 | SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-24 | — | — | WO | disclosed |