⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20156239 | 0.83 | KMT2A (0.33) | — | |
| SCHEMBL20156072 | 0.69 | — | — | |
| SCHEMBL20156238 | 0.69 | — | — | |
| SCHEMBL16181341 | 0.68 | TSHR (0.45) | — | |
| SCHEMBL16181353 | 0.65 | CASP2 (0.46) | — | |
| SCHEMBL20156293 | 0.65 | KMT2A (0.30) | — | |
| SCHEMBL20156005 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL7847493 | 0.63 | TSHR (0.46) | — | |
| SCHEMBL14445055 | 0.62 | TSHR (0.38) | — | |
| SCHEMBL16181339 | 0.62 | TSHR (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3538527-B1 | AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2021-10-13 | — | — | EP | disclosed |
| WO-2018089358-A1 | AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |