⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20141047 | 0.85 | — | — | |
| SCHEMBL20140711 | 0.75 | — | — | |
| SCHEMBL1166436 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL20139822 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL22912521 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL1166250 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL20156304 | 0.68 | KMT2A (0.47) | — | |
| SCHEMBL20140885 | 0.68 | PRKDC (0.31) | — | |
| SCHEMBL22912519 | 0.68 | ALDH1A1 (0.37) | — | |
| SCHEMBL2629338 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3538525-B1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2022-06-22 | — | — | EP | disclosed |