⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL830581 | 0.71 | CYP3A4 (0.36) | — | |
| SCHEMBL831505 | 0.69 | HSP90AA1 (0.44) | — | |
| SCHEMBL829603 | 0.68 | PLAU (0.44) | — | |
| SCHEMBL831119 | 0.66 | CASP7 (0.34) | — | |
| SCHEMBL829564 | 0.62 | CA9 (0.51) | — | |
| SCHEMBL830995 | 0.60 | RXFP1 (0.44) | — | |
| SCHEMBL829720 | 0.60 | CA12 (0.35) | — | |
| SCHEMBL830881 | 0.60 | CA2 (0.38) | — | |
| SCHEMBL9290775 | 0.59 | CYP3A4 (0.56) | — | |
| SCHEMBL830992 | 0.59 | CA2 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070232649-A1 | Heteroaryl Sulfones and Sulfonamides and Therapeutic Uses Thereof | TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2007-10-04 | — | — | US | claimed |
| US-8143428-B2 | Heteroaryl sulfones and sulfonamides and therapeutic uses thereof | TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2012-03-27 | — | — | US | disclosed |