⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20156060 | 0.70 | — | — | |
| SCHEMBL11777009 | 0.69 | — | — | |
| SCHEMBL4912643 | 0.65 | — | — | |
| SCHEMBL8269743 | 0.56 | — | — | |
| SCHEMBL28506117 | 0.53 | ALDH1A1 (0.38) | — | |
| SCHEMBL5903240 | 0.53 | ALDH1A1 (0.52) | — | |
| SCHEMBL4911201 | 0.51 | — | — | |
| SCHEMBL27953433 | 0.47 | — | — | |
| SCHEMBL29435088 | 0.47 | ALDH1A1 (0.39) | — | |
| SCHEMBL2513816 | 0.47 | MEN1 (0.43) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018089358-A1 | AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |