⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20591186 | 0.80 | THRB (0.36) | — | |
| SCHEMBL3373050 | 0.79 | — | — | |
| SCHEMBL28924383 | 0.78 | ALDH1A1 (0.52) | — | |
| SCHEMBL10411192 | 0.77 | OR51E2 (0.31) | — | |
| SCHEMBL20591182 | 0.77 | PTPN1 (0.33) | — | |
| SCHEMBL1372221 | 0.76 | — | — | |
| SCHEMBL28631995 | 0.75 | HCAR2 (0.35) | — | |
| SCHEMBL1271535 | 0.75 | OR51E2 (0.36) | — | |
| SCHEMBL28638213 | 0.74 | — | — | |
| SCHEMBL27829904 | 0.73 | TSHR (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0972776-B1 | A phosphine sulfide, a manufacturing process therefor and a use thereof | MITSUI CHEMICALS INC (JP) | 2003-04-23 | — | — | EP | disclosed |
| US-6153794-A | Phosphine sulfide, a manufacturing process therefor and use thereof | MITSUI CHEMICALS, INC. (JP) | 2000-11-28 | — | — | US | disclosed |
| EP-0972776-A1 | A phosphine sulfide, a manufacturing process therefor and a use thereof | Mitsui Chemicals, Inc. (JP) | 2000-01-19 | — | — | EP | disclosed |