⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16627472 | 1.00 | — | — | |
| SCHEMBL1263613 | 0.86 | — | — | |
| SCHEMBL17174257 | 0.86 | — | — | |
| Iodide SCHEMBL4971596 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL4969840 | 0.84 | — | — | |
| Bromide SCHEMBL4970282 | 0.84 | — | — | |
| Cadaverine Tartrate SCHEMBL21806604 | 0.83 | TSHR (0.44) | — | |
| Cadaverine Tartrate SCHEMBL21806603 | 0.83 | TSHR (0.44) | — | |
| SCHEMBL16627469 | 0.75 | — | — | |
| SCHEMBL2075623 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3210469-A1 | USE OF SUBSTITUTED THIO-1,2,4-TRIAZOLES FOR INCREASING STRESS TOLERANCE IN PLANTS | Bayer Cropscience AG (DE) | 2017-08-30 | — | — | EP | disclosed |
| WO-2017012966-A1 | SUBSTITUTED ARYL AND HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-01-26 | — | — | WO | disclosed |
| WO-2016012362-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 AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-01-28 | — | — | WO | disclosed |