⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL979771 | 0.79 | — | — | |
| SCHEMBL29630901 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL125458 | 0.69 | — | — | |
| SCHEMBL12452379 | 0.68 | NOS3 (0.33) | — | |
| SCHEMBL18845026 | 0.67 | — | — | |
| SCHEMBL18337134 | 0.67 | — | — | |
| SCHEMBL17986759 | 0.66 | SOAT1 (0.33) | — | |
| SCHEMBL3938297 | 0.65 | — | — | |
| SCHEMBL19441263 | 0.65 | NOS3 (0.38) | — | |
| SCHEMBL13296263 | 0.64 | ACHE (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016008862-A1 | SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-01-21 | — | — | WO | disclosed |
| US-20110014504-A1 | LITHIUM SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-01-20 | — | — | US | disclosed |
| CN-100563056-C | Lithium secondary battery | MITSUBISHI CHEM CORP (JP) | 2009-11-25 | — | — | CN | disclosed |
| US-20080311478-A1 | Lithium Secondary Battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2008-12-18 | — | — | US | disclosed |
| CN-101203982-A | Lithium secondary battery | MITSUBISHI CHEM CORP (JP) | 2008-06-18 | — | — | CN | disclosed |
| EP-1892789-A1 | LITHIUM SECONDARY BATTERY | Mitsubishi Chemical Corporation (JP) | 2008-02-27 | — | — | EP | disclosed |