⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4698239 | 1.00 | — | — | |
| SCHEMBL18538240 | 1.00 | — | — | |
| SCHEMBL16093 | 0.80 | — | — | |
| SCHEMBL37709 | 0.80 | — | — | |
| SCHEMBL8726425 | 0.79 | PTGS1 (0.37) | — | |
| SCHEMBL8726421 | 0.79 | PTGS1 (0.37) | — | |
| SCHEMBL12575413 | 0.79 | — | — | |
| SCHEMBL619061 | 0.78 | ALDH1A1 (0.35) | — | |
| Acetone SCHEMBL8337337 | 0.78 | TP53 (0.36) | — | |
| SCHEMBL28181082 | 0.78 | TP53 (0.36) | — |
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-2739677-B1 | LOW ODOR (METH)ACRYLATE REACTIVE RESIN | EVONIK ROEHM GMBH (DE) | 2015-05-27 | — | — | EP | claimed |
| EP-1442895-B1 | A method for preparation of a lithographic printing plate and a lithographic printing plate produced by said method | TECHNOVA IMAGING SYSTEMS P LTD (IN) | 2008-05-14 | — | — | EP | claimed |
| EP-1432746-B1 | DEODORANTS AND ANTI-PERSPIRANTS | CLARIANT PRODUKTE DEUTSCHLAND (DE) | 2007-02-07 | — | — | EP | claimed |
| CN-1278569-A | Composite waterproof material for fabric and leather | UNIV EAST CHINA SCIENCE & ENG (CN) | 2001-01-03 | — | — | CN | disclosed |