⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18599458 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL19062373 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL8763507 | 0.71 | — | — | |
| SCHEMBL30890403 | 0.71 | — | — | |
| SCHEMBL636866 | 0.71 | GNAI3 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6048150 | 0.71 | POLB (0.36) | — | |
| SCHEMBL7037240 | 0.70 | GRIN2D (0.35) | — | |
| SCHEMBL11240387 | 0.69 | OPRL1 (0.30) | — | |
| SCHEMBL16486380 | 0.68 | — | — | |
| SCHEMBL28031284 | 0.68 | GNAI3 (0.37) | — |
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-2003004453-A1 | COMPOUNDS USED TO TREAT ALCOHOLISM | GARBIL PHARMA INVESTIGACION CHILE LTDA. (CL) | 2003-01-16 | — | — | WO | disclosed |