⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1394430 | 0.79 | CYP1A2 (0.37) | — | |
| SCHEMBL10997459 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL757659 | 0.73 | SIGMAR1 (0.33) | — | |
| SCHEMBL1144439 | 0.69 | GRIN2D (0.32) | — | |
| SCHEMBL5858921 | 0.65 | — | — | |
| SCHEMBL1394896 | 0.65 | CYP3A4 (0.31) | — | |
| SCHEMBL12733 | 0.64 | LMNA (0.37) | — | |
| SCHEMBL1394055 | 0.62 | ALDH1A1 (0.38) | — | |
| SCHEMBL450187 | 0.62 | — | — | |
| SCHEMBL5072587 | 0.61 | BIRC2 (0.36) | — |
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-0230402-B1 | PHARMACOLOGICALLY ACTIVE ALKYLOL DERIVATIVES | DOMPE' FARMACEUTICI S.p.A. (IT) | 1993-04-21 | — | — | EP | disclosed |