⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5376738 | 1.00 | — | — | |
| SCHEMBL989373 | 1.00 | — | — | |
| SCHEMBL5376743 | 1.00 | — | — | |
| SCHEMBL7052054 | 1.00 | — | — | |
| SCHEMBL6269441 | 0.95 | ALDH1A1 (0.36) | — | |
| SCHEMBL9718773 | 0.95 | ALDH1A1 (0.36) | — | |
| SCHEMBL12079166 | 0.95 | ALDH1A1 (0.36) | — | |
| SCHEMBL5881101 | 0.95 | — | — | |
| SCHEMBL13891938 | 0.95 | ALDH1A1 (0.36) | — | |
| SCHEMBL10715035 | 0.91 | ALDH1A1 (0.33) | — |
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-1404687-A4 | FLUOROUS TRIPHASE AND OTHER MULTIPHASE SYSTEMS | UNIV PITTSBURGH (US) | 2004-10-27 | — | — | EP | disclosed |
| EP-1404687-A2 | FLUOROUS TRIPHASE AND OTHER MULTIPHASE SYSTEMS | UNIVERSITY OF PITTSBURGH (US) | 2004-04-07 | — | — | EP | disclosed |
| WO-2002100802-A2 | FLUOROUS TRIPHASE AND OTHER MULTIPHASE SYSTEMS | UNIVERSITY OF PITTSBURGH (US) | 2002-12-19 | — | — | WO | disclosed |