⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26348959 | 0.61 | AHCY (0.44) | — | |
| SCHEMBL11366892 | 0.60 | ADORA2A (0.56) | — | |
| SCHEMBL15904221 | 0.60 | NOS3 (0.31) | — | |
| SCHEMBL15904190 | 0.59 | — | — | |
| SCHEMBL30487819 | 0.57 | KMT2A (0.39) | — | |
| SCHEMBL11424150 | 0.57 | PDE10A (0.43) | — | |
| SCHEMBL10916223 | 0.57 | PKM (0.35) | — | |
| SCHEMBL2549958 | 0.57 | KMT2A (0.39) | — | |
| Hydrochloric Acid SCHEMBL11431163 | 0.56 | PDE10A (0.42) | — | |
| SCHEMBL13347013 | 0.55 | CDK1 (0.41) | — |
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-3505171-A1 | BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND | Mitsubishi Tanabe Pharma Corporation (JP) | 2019-07-03 | — | — | EP | disclosed |