⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14102020 | 0.84 | MEN1 (0.31) | — | |
| SCHEMBL4766122 | 0.80 | POLB (0.37) | — | |
| SCHEMBL14101952 | 0.78 | AKR1B10 (0.32) | — | |
| SCHEMBL14101768 | 0.75 | AKR1B10 (0.30) | — | |
| SCHEMBL4720328 | 0.65 | POLB (0.36) | — | |
| SCHEMBL14101833 | 0.64 | — | — | |
| SCHEMBL4721608 | 0.62 | AKR1B10 (0.33) | — | |
| SCHEMBL10208080 | 0.58 | HSD17B1 (0.36) | — | |
| SCHEMBL8248239 | 0.58 | HTR3E (0.43) | — | |
| SCHEMBL12367734 | 0.58 | NOTUM (0.40) | — |
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-1953147-A1 | HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF | Japan Tobacco, Inc. (JP) | 2008-08-06 | — | — | EP | disclosed |