⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2094167 | 0.63 | — | — | |
| SCHEMBL14410068 | 0.61 | — | — | |
| SCHEMBL5066531 | 0.59 | — | — | |
| SCHEMBL73097 | 0.52 | — | — | |
| SCHEMBL9497605 | 0.50 | — | — | |
| Diallylsulfone SCHEMBL9518459 | 0.50 | CA2 (0.31) | — | |
| SCHEMBL28297002 | 0.50 | — | — | |
| SCHEMBL9543355 | 0.49 | — | — | |
| Propane SCHEMBL7031062 | 0.49 | — | — | |
| SCHEMBL20511906 | 0.49 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6462238-B2 | REDUCTION OF THE CORRESPONDING NITRILE CONTAINING COMPOUND | ARRAY BIOPHARMA, INC. | 2002-10-08 | — | — | US | disclosed |
| US-20020013498-A1 | Process for the reduction of cyano-substituted sulfones to aminoalkylene-substituted sulfones | ARRAY BIOPHARMA, INC. | 2002-01-31 | — | — | US | disclosed |
| WO-2001083432-A2 | PROCESS FOR THE REDUCTION OF CYANO-SUBSTITUTED SULFONES TO AMINOALKYLENE-SUBSTITUTED SULFONES | ARRAY BIOPHARMA, INC. (US) | 2001-11-08 | — | — | WO | disclosed |