⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21281642 | 0.80 | ALDH1A1 (0.38) | — | |
| SCHEMBL21282897 | 0.75 | — | — | |
| SCHEMBL21282896 | 0.73 | — | — | |
| SCHEMBL21281707 | 0.69 | GRM5 (0.36) | — | |
| SCHEMBL21281643 | 0.67 | UHRF1 (0.35) | — | |
| SCHEMBL20153298 | 0.64 | ALDH1A1 (0.42) | — | |
| SCHEMBL21284301 | 0.63 | — | — | |
| SCHEMBL21281639 | 0.62 | ALDH1A1 (0.38) | — | |
| SCHEMBL21605829 | 0.62 | ALDH1A1 (0.40) | — | |
| SCHEMBL21281649 | 0.61 | UHRF1 (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210246136-A1 | CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2021-08-12 | — | — | US | disclosed |
| US-10745384-B2 | Indazole derivatives as αv integrin antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-08-18 | — | — | US | disclosed |
| US-20190256496-A1 | INDAZOLE DERIVATIVES AS ALPHA V INTEGRIN ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2019-08-22 | — | — | US | disclosed |