⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8880526 | 0.72 | — | — | |
| SCHEMBL6266488 | 0.72 | ADH1B (0.44) | — | |
| SCHEMBL80951 | 0.72 | — | — | |
| SCHEMBL7875571 | 0.71 | — | — | |
| SCHEMBL4790019 | 0.69 | — | — | |
| SCHEMBL17236504 | 0.67 | — | — | |
| SCHEMBL8532399 | 0.67 | — | — | |
| SCHEMBL28872566 | 0.67 | — | — | |
| SCHEMBL17695613 | 0.67 | — | — | |
| SCHEMBL177669 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104903310-A | Bicyclic urea, thiourea, guanidine and cyanoguanidine compounds useful for the treatment of pain | ARRAY BIOPHARMA INC | 2015-09-09 | — | — | CN | disclosed |
| CN-102112451-A | Diazepan and piperazine derivatives modulators of chemokine receptors | HOFFMANN LA ROCHE | 2011-06-29 | — | — | CN | disclosed |
| CN-1344256-A | (Hetero) aryl-bicyclic heteroaryl derivatives, their prepn. and their use as protease inhibitors | AXYS PHARM INC (US) | 2002-04-10 | — | — | CN | disclosed |