⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14026980 | 0.77 | — | — | |
| SCHEMBL23489371 | 0.73 | — | — | |
| SCHEMBL13359309 | 0.71 | — | — | |
| SCHEMBL14026984 | 0.67 | — | — | |
| SCHEMBL16254630 | 0.66 | — | — | |
| SCHEMBL23489492 | 0.58 | — | — | |
| SCHEMBL9325256 | 0.54 | — | — | |
| SCHEMBL25464232 | 0.53 | — | — | |
| SCHEMBL18687203 | 0.52 | — | — | |
| SCHEMBL14292343 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11530180-B2 | Alpha-5 beta-1 inhibitors | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-12-20 | — | — | US | disclosed |
| US-20210171455-A1 | ALPHA-5 BETA-1 INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2021-06-10 | — | — | US | disclosed |