⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL3696509 | 1.00 | — | — | |
| Cyclooctene SCHEMBL5824284 | 1.00 | — | — | |
| Methyl Alcohol SCHEMBL3696505 | 1.00 | — | — | |
| Methyl Alcohol SCHEMBL3696506 | 1.00 | — | — | |
| Cyclooctene SCHEMBL5824288 | 1.00 | — | — | |
| Cyclohexene SCHEMBL11698794 | 0.96 | — | — | |
| Cyclohexene SCHEMBL3786519 | 0.96 | — | — | |
| Hydrogen Peroxide SCHEMBL28692176 | 0.87 | — | — | |
| Cyclopentene SCHEMBL5730638 | 0.87 | — | — | |
| SCHEMBL9512172 | 0.87 | HDAC3 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060128575-A1 | Traction fluid composition | GEIGER RENE | 2006-06-15 | — | — | US | claimed |
| WO-2004061057-A1 | TRACTION FLUID COMPOSITION | DOW GLOBAL TECHNOLOGIES INC. (US) | 2004-07-22 | — | — | WO | claimed |
| US-20060128575-A1 | Traction fluid composition | GEIGER RENE | 2006-06-15 | — | — | US | disclosed |
| WO-2004061057-A1 | TRACTION FLUID COMPOSITION | DOW GLOBAL TECHNOLOGIES INC. (US) | 2004-07-22 | — | — | WO | disclosed |