⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15821982 | 0.83 | LMNA (0.48) | — | |
| SCHEMBL15822117 | 0.83 | LMNA (0.48) | — | |
| SCHEMBL15822118 | 0.83 | LMNA (0.48) | — | |
| SCHEMBL15821979 | 0.83 | LMNA (0.48) | — | |
| SCHEMBL11399707 | 0.83 | LMNA (0.48) | — | |
| SCHEMBL11068941 | 0.79 | NR1I2 (0.38) | — | |
| SCHEMBL5653275 | 0.79 | NR1I2 (0.38) | — | |
| SCHEMBL215615 | 0.78 | LMNA (0.33) | — | |
| SCHEMBL506092 | 0.78 | — | — | |
| SCHEMBL11313054 | 0.76 | ALDH1A1 (0.31) | — |
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-2018089353-A1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |