⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6937439 | 0.74 | — | — | |
| SCHEMBL23728004 | 0.72 | CNR2 (0.31) | — | |
| SCHEMBL21633955 | 0.71 | PPARG (0.30) | — | |
| SCHEMBL1154068 | 0.69 | SHBG (0.38) | — | |
| SCHEMBL1153349 | 0.69 | SHBG (0.38) | — | |
| SCHEMBL1153977 | 0.69 | SHBG (0.38) | — | |
| SCHEMBL23644521 | 0.68 | ALDH1A1 (0.30) | — | |
| SCHEMBL21633980 | 0.68 | GBA1 (0.31) | — | |
| SCHEMBL1081400 | 0.64 | — | — | |
| SCHEMBL28357459 | 0.63 | LMNA (0.33) | — |
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-3818401-A1 | WATER EXTRACTABLE OPHTHALMIC DEVICES | Bausch & Lomb Incorporated (US) | 2021-05-12 | — | — | EP | disclosed |