⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13278803 | 1.00 | — | — | |
| SCHEMBL13278975 | 0.80 | — | — | |
| SCHEMBL13278976 | 0.80 | — | — | |
| SCHEMBL13279003 | 0.77 | — | — | |
| SCHEMBL15612782 | 0.74 | PTPN1 (0.35) | — | |
| SCHEMBL15612781 | 0.74 | PTPN1 (0.35) | — | |
| SCHEMBL13279080 | 0.73 | — | — | |
| SCHEMBL9582833 | 0.72 | — | — | |
| SCHEMBL366433 | 0.72 | — | — | |
| SCHEMBL398796 | 0.68 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10322995-B2 | Substituted cyano cycloalkyl penta-2,4-dienes, cyano cycloalkyl pent-2-en-4-ynes, cyano heterocyclyl penta-2,4-dienes and cyano heterocyclyl pent-2-en-4-ynes as active substances against abiotic plant stress | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2019-06-18 | — | — | US | disclosed |
| US-20170210701-A1 | SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-07-27 | — | — | US | disclosed |
| US-20170197910-A1 | SUBSTITUTED VINYL AND ALKYNYL CYANOCYCLOALKANOLS AND VINYL AND ALKYNYL CYANOHETEROCYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-07-13 | — | — | US | disclosed |
| US-9185914-B2 | Substituted 5-(cyclohex-2-en-1-yl)-penta-2,4-dienes and 5-(cyclohex-2-en-1-yl)-pent-2-en-4-ines as active agents against abiotic stress in plants | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-11-17 | — | — | US | disclosed |
| US-20140087949-A1 | SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-03-27 | — | — | US | disclosed |
| US-20140080704-A1 | SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2014-03-20 | — | — | US | disclosed |
| US-20140051577-A1 | SUBSTITUTED 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENTA-2,4-DIENES AND 5-(BICYCLO[4.1.0]HEPT-3-EN-2-YL)PENT-2-ENE-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESSES IN PLANTS | FRACKENPOHL JENS (DE) | 2014-02-20 | — | — | US | disclosed |