⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8802661 | 1.00 | — | — | |
| SCHEMBL8005641 | 1.00 | — | — | |
| SCHEMBL8952512 | 1.00 | — | — | |
| SCHEMBL8803500 | 1.00 | — | — | |
| SCHEMBL8952576 | 1.00 | — | — | |
| SCHEMBL8952645 | 1.00 | — | — | |
| SCHEMBL8952687 | 1.00 | — | — | |
| SCHEMBL8803867 | 0.99 | — | — | |
| SCHEMBL8952572 | 0.95 | EPHX2 (0.30) | — | |
| SCHEMBL8952566 | 0.91 | MAPK10 (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0662834-A4 | NOVEL EPOXIDE-CONTAINING COMPOUNDS. | CELL THERAPEUTICS INC (US) | 1996-04-17 | — | — | EP | disclosed |
| EP-0669825-A4 | HYDROXYL-CONTAINING COMPOUNDS. | CELL THERAPEUTICS INC (US) | 1996-04-03 | — | — | EP | disclosed |
| EP-0669825-A1 | HYDROXYL-CONTAINING COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1995-09-06 | — | — | EP | disclosed |
| EP-0662834-A1 | NOVEL EPOXIDE-CONTAINING COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1995-07-19 | — | — | EP | disclosed |
| WO-1994016704-A1 | OXIME-SUBSTITUTED THERAPEUTIC COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1994-08-04 | — | — | WO | disclosed |
| WO-1994011001-A1 | HYDROXYL-CONTAINING COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1994-05-26 | — | — | WO | disclosed |
| WO-1994006431-A1 | NOVEL EPOXIDE-CONTAINING COMPOUNDS | CELL THERAPEUTICS, INC. (US) | 1994-03-31 | — | — | WO | disclosed |