⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15330840 | 0.78 | KMT2A (0.37) | — | |
| SCHEMBL20103 | 0.60 | CYP2A6 (0.44) | — | |
| SCHEMBL18663431 | 0.59 | MEN1 (0.35) | — | |
| SCHEMBL2534037 | 0.58 | KMT2A (0.39) | — | |
| SCHEMBL28877897 | 0.58 | NPC1 (0.39) | — | |
| Propionaldehyde SCHEMBL27544770 | 0.57 | ALDH1A1 (0.53) | — | |
| SCHEMBL3860760 | 0.56 | KMT2A (0.40) | — | |
| SCHEMBL9680305 | 0.56 | ALDH1A1 (0.44) | — | |
| SCHEMBL22551881 | 0.56 | KMT2A (0.40) | — | |
| SCHEMBL16100041 | 0.56 | PRMT5 (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 |
|---|---|---|---|---|---|---|---|
| WO-2021141106-A1 | HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING COMPOSITION INCLUDING SAME | 住友化学株式会社 | 2021-07-15 | — | — | WO | disclosed |