⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23489372 | 0.71 | — | — | |
| SCHEMBL8997519 | 0.62 | — | — | |
| SCHEMBL14292343 | 0.56 | — | — | |
| SCHEMBL18612541 | 0.54 | — | — | |
| SCHEMBL21385728 | 0.54 | — | — | |
| Bromide SCHEMBL10599199 | 0.53 | — | — | |
| SCHEMBL22700161 | 0.50 | — | — | |
| SCHEMBL19817158 | 0.48 | — | — | |
| SCHEMBL78899 | 0.48 | — | — | |
| SCHEMBL25417178 | 0.48 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021119199-A1 | ALPHA-5 BETA-1 INHIBITORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-06-17 | — | — | WO | disclosed |
| EP-1371646-B1 | ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME | DAINIPPON SUMITOMO PHARMA CO (JP) | 2010-05-19 | — | — | EP | disclosed |
| US-7176199-B2 | Aryl-substituted alicyclic compound and medical composition comprising the same | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2007-02-13 | — | — | US | disclosed |
| US-7176199-B2 | Aryl-substituted alicyclic compound and medical composition comprising the same | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 2007-02-13 | — | — | US | disclosed |