⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8941119 | 0.61 | — | — | |
| SCHEMBL8617068 | 0.60 | — | — | |
| SCHEMBL7108874 | 0.58 | — | — | |
| SCHEMBL170898 | 0.57 | PDE10A (0.34) | — | |
| SCHEMBL17514923 | 0.54 | HSD11B1 (0.47) | — | |
| SCHEMBL8307504 | 0.53 | — | — | |
| SCHEMBL11161120 | 0.53 | ADORA2A (0.33) | — | |
| SCHEMBL23401154 | 0.51 | MAPT (0.62) | — | |
| SCHEMBL3920805 | 0.51 | CDK8 (0.33) | — | |
| SCHEMBL24526595 | 0.50 | POLB (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5587484-A | HALOGENATION; OXIDATION; SULFONATION; HERBICIDES | IDEMITSU KOSAN CO., LTD. (JP) | 1996-12-24 | — | — | US | disclosed |