⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11973903 | 0.75 | — | — | |
| SCHEMBL723133 | 0.75 | — | — | |
| Ethylene SCHEMBL27278693 | 0.73 | — | — | |
| SCHEMBL7853496 | 0.73 | — | — | |
| SCHEMBL721212 | 0.71 | — | — | |
| SCHEMBL250874 | 0.71 | — | — | |
| Water SCHEMBL27850410 | 0.71 | — | — | |
| SCHEMBL9994 | 0.69 | — | — | |
| Acrylic Acid SCHEMBL1082556 | 0.69 | LMNA (0.48) | — | |
| SCHEMBL2016950 | 0.67 | CA2 (0.32) | — |
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 |