⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15904125 | 0.69 | PDE10A (0.40) | — | |
| SCHEMBL5405453 | 0.67 | MAPT (0.49) | — | |
| SCHEMBL15904001 | 0.65 | PDE10A (0.41) | — | |
| SCHEMBL19917159 | 0.64 | LMNA (0.32) | — | |
| SCHEMBL2549958 | 0.64 | KMT2A (0.39) | — | |
| SCHEMBL30487819 | 0.64 | KMT2A (0.39) | — | |
| SCHEMBL15904221 | 0.63 | NOS3 (0.31) | — | |
| SCHEMBL15904190 | 0.62 | — | — | |
| SCHEMBL11424150 | 0.60 | PDE10A (0.43) | — | |
| SCHEMBL10916223 | 0.60 | PKM (0.35) | — |
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-2018038265-A1 | BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND | 田辺三菱製薬株式会社 | 2018-03-01 | — | — | WO | disclosed |