⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10440020 | 0.77 | — | — | |
| SCHEMBL1064581 | 0.72 | — | — | |
| SCHEMBL16057175 | 0.72 | — | — | |
| SCHEMBL263285 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL23177 | 0.65 | — | — | |
| SCHEMBL13490 | 0.65 | — | — | |
| SCHEMBL5758677 | 0.65 | — | — | |
| SCHEMBL1478784 | 0.64 | — | — | |
| SCHEMBL9427942 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL11666638 | 0.64 | TSHR (0.31) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3172187-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) | 2017-05-31 | — | — | EP | claimed |
| 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 | claimed |
| EP-2470574-B1 | PROCESS AND CATALYST SYSTEM FOR POLYDIENE PRODUCTION | BRIDGESTONE CORP (JP) | 2014-09-17 | — | — | EP | disclosed |
| US-8765887-B2 | Process and catalyst system for polydiene production | BRIDGESTONE CORPORATION (JP) | 2014-07-01 | — | — | US | disclosed |
| US-8592547-B2 | Organopolysiloxane, a method of preparing the same and a cosmetic comprising the same | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2013-11-26 | — | — | US | disclosed |
| EP-2470574-A2 | PROCESS AND CATALYST SYSTEM FOR POLYDIENE PRODUCTION | Bridgestone Corporation (JP) | 2012-07-04 | — | — | EP | disclosed |
| US-20120165484-A1 | PROCESS AND CATALYST SYSTEM FOR POLYDIENE PRODUCTION | BRIDGESTONE CORPORATION (JP) | 2012-06-28 | — | — | US | disclosed |
| WO-2011028523-A2 | PROCESS AND CATALYST SYSTEM FOR POLYDIENE PRODUCTION | BRIDGESTONE CORPORATION (JP) | 2011-03-10 | — | — | WO | disclosed |
| US-20110015337-A1 | ORGANOPOLYSILOXANE, A METHOD OF PREPARING THE SAME AND A COSMETIC COMPRISING THE SAME | SAKUTA KOJI | 2011-01-20 | — | — | US | disclosed |