⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23889210 | 0.84 | — | — | |
| SCHEMBL15703072 | 0.81 | KDM5B (0.37) | — | |
| SCHEMBL22766370 | 0.79 | ACHE (0.33) | — | |
| SCHEMBL20706164 | 0.78 | — | — | |
| SCHEMBL17831626 | 0.78 | — | — | |
| SCHEMBL13165389 | 0.75 | PDK2 (0.35) | — | |
| SCHEMBL22738674 | 0.75 | KDM5B (0.31) | — | |
| SCHEMBL21721658 | 0.73 | LMNA (0.41) | — | |
| SCHEMBL10141567 | 0.73 | ACHE (0.33) | — | |
| SCHEMBL18948380 | 0.73 | EP300 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10829501-B2 | Spiroheptane salicylamides and related compounds as inhibitors of ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-11-10 | — | — | US | disclosed |
| US-20200131200-A1 | SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK | BRISTOL MYERS SQUIBB CO (US) | 2020-04-30 | — | — | US | disclosed |