⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1593837 | 0.85 | IDO1 (0.36) | — | |
| SCHEMBL1596404 | 0.63 | ALDH1A1 (0.48) | — | |
| SCHEMBL13905314 | 0.59 | PDE2A (0.41) | — | |
| SCHEMBL8549963 | 0.57 | SLC34A1 (0.39) | — | |
| SCHEMBL8588979 | 0.55 | GABRG2 (0.38) | — | |
| SCHEMBL13632624 | 0.54 | ALOX5 (0.44) | — | |
| SCHEMBL12066334 | 0.54 | IDO1 (0.68) | — | |
| SCHEMBL12121225 | 0.54 | ADORA2A (0.32) | — | |
| SCHEMBL14591164 | 0.53 | SLC6A2 (0.48) | — | |
| SCHEMBL1600804 | 0.53 | PDE2A (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 |
|---|---|---|---|---|---|---|---|
| EP-1989185-B1 | THERAPEUTIC COMPOUNDS | HELICON THERAPEUTICS INC (US) | 2013-05-22 | — | — | EP | disclosed |