⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2222194 | 0.76 | — | — | |
| SCHEMBL12060697 | 0.73 | — | — | |
| SCHEMBL1199234 | 0.73 | — | — | |
| SCHEMBL15268303 | 0.73 | — | — | |
| SCHEMBL27347986 | 0.73 | — | — | |
| SCHEMBL17398210 | 0.70 | CYP2A6 (0.39) | — | |
| SCHEMBL17398529 | 0.68 | CYP2A6 (0.38) | — | |
| SCHEMBL18430402 | 0.68 | CYP2A6 (0.38) | — | |
| SCHEMBL17398477 | 0.68 | CYP2A6 (0.38) | — | |
| SCHEMBL1417254 | 0.68 | ALDH1A1 (0.39) | — |
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-5886195-A | REACTING AN APPROPRIATE CARBOXALDEHYDE WITH AN APPROPRIATE SULFONYLACETONITRILE | SUGEN, INC. (US) | 1999-03-23 | — | — | US | disclosed |
| US-5710173-A | ANTITUMOR AGENTS OR ANTICARCINOGENIC AGENTS | SUGEN, INC. (US) | 1998-01-20 | — | — | US | disclosed |
| WO-1996040675-A1 | THIENYL COMPOUNDS FOR INHIBITION OF CELL PROLIFERATIVE DISORDERS | SUGEN, INC. (US) | 1996-12-19 | — | — | WO | disclosed |