⚠ 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 | |
|---|---|---|---|---|
| Cyclohexene SCHEMBL1986964 | 0.97 | — | — | |
| Cyclopentene SCHEMBL8157049 | 0.92 | — | — | |
| SCHEMBL4046783 | 0.88 | — | — | |
| SCHEMBL31483482 | 0.85 | — | — | |
| Cyclopropane SCHEMBL9351440 | 0.82 | FFAR3 (0.30) | — | |
| Cyclooctene SCHEMBL29059019 | 0.82 | CA1 (0.36) | — | |
| Bicarbonate SCHEMBL4050127 | 0.82 | CA1 (0.36) | — | |
| Cyclopropane SCHEMBL11399095 | 0.82 | FFAR3 (0.38) | — | |
| Cyclohexane SCHEMBL9535898 | 0.82 | FFAR3 (0.38) | — | |
| Cyclopropane SCHEMBL4440814 | 0.82 | FFAR3 (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1675932-A2 | ADDITIVE MIXTURE AS COMPONENT OF MINERAL OIL COMPOSITIONS | LEUNA Polymer GmbH (DE) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005040316-A2 | ADDITIVE MIXTURE AS COMPONENT OF MINERAL OIL COMPOSITIONS | LEUNA POLYMER GMBH (DE) | 2005-05-06 | — | — | WO | disclosed |