⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL576472 | 1.00 | — | — | |
| SCHEMBL2724285 | 0.85 | CA1 (0.44) | — | |
| SCHEMBL5936338 | 0.76 | — | — | |
| SCHEMBL576309 | 0.76 | — | — | |
| SCHEMBL13515396 | 0.76 | — | — | |
| SCHEMBL5936327 | 0.76 | — | — | |
| SCHEMBL24996858 | 0.75 | — | — | |
| SCHEMBL9664921 | 0.75 | — | — | |
| SCHEMBL2080980 | 0.75 | — | — | |
| SCHEMBL14275662 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0759915-B1 | ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS | CELL THERAPEUTICS INC (US) | 2002-10-16 | — | — | EP | disclosed |
| US-5629423-A | Asymmetric synthesis of chiral secondary alcohols | CELL THERAPEUTICS, INC. (US) | 1997-05-13 | — | — | US | disclosed |
| EP-0759915-A1 | ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS | CELL THERAPEUTICS, INC. (US) | 1997-03-05 | — | — | EP | disclosed |
| WO-1995031450-A1 | ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS | CELL THERAPEUTICS, INC. (US) | 1995-11-23 | — | — | WO | disclosed |