⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12049664 | 0.74 | — | — | |
| SCHEMBL19221413 | 0.74 | — | — | |
| SCHEMBL1786678 | 0.69 | CYP1A2 (0.34) | — | |
| SCHEMBL3927281 | 0.67 | MAOB (0.67) | — | |
| SCHEMBL14109429 | 0.66 | RECQL (0.43) | — | |
| SCHEMBL19221335 | 0.64 | RECQL (0.51) | — | |
| SCHEMBL17723689 | 0.64 | RECQL (0.35) | — | |
| SCHEMBL21960301 | 0.63 | RECQL (0.40) | — | |
| SCHEMBL10853304 | 0.62 | ALDH1A1 (0.47) | — | |
| SCHEMBL6954586 | 0.57 | ATM (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 |