⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10178037 | 0.76 | — | — | |
| SCHEMBL28801401 | 0.76 | AHR (0.31) | — | |
| SCHEMBL1970186 | 0.73 | AHR (0.35) | — | |
| SCHEMBL31099577 | 0.72 | CDK8 (0.36) | — | |
| SCHEMBL2198117 | 0.67 | HSP90AA1 (0.38) | — | |
| SCHEMBL2161282 | 0.65 | NPSR1 (0.33) | — | |
| SCHEMBL22541579 | 0.64 | HSP90AA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL28561916 | 0.64 | HPGD (0.33) | — | |
| SCHEMBL25791857 | 0.63 | NT5E (0.32) | — | |
| SCHEMBL26500656 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1926131-B | Heterocycle grafted monomers and related polymers and hybrid inorganic-organic polymer membranes | TOYOTA TECHNICAL CT USA INC | 2012-10-31 | — | — | CN | disclosed |