⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18938636 | 0.74 | — | — | |
| SCHEMBL18938751 | 0.74 | — | — | |
| SCHEMBL18938693 | 0.56 | — | — | |
| SCHEMBL410501 | 0.56 | — | — | |
| SCHEMBL18938728 | 0.56 | — | — | |
| SCHEMBL948200 | 0.56 | — | — | |
| SCHEMBL17262630 | 0.54 | — | — | |
| SCHEMBL7050547 | 0.54 | — | — | |
| SCHEMBL4927350 | 0.53 | — | — | |
| SCHEMBL18938747 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024105104-A1 | MICROBIOCIDAL TETRAHYDROISOQUINOLINE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2024-05-23 | — | — | WO | disclosed |
| US-9957248-B2 | Substituted 5-hydroxy-2-heteroaryl-3-phenylpentanonitrile derivatives, processes for their preparation and their use as herbicides and/or plant growth regulators | BAYER CROPSCIENCE AKTIENGESELLSHAFT (DE) | 2018-05-01 | — | — | US | disclosed |
| US-20170166549-A1 | Substituted 5-hydroxy-2-heteroaryl-3-phenylpentanonitrile derivatives, processes for their preparation and their use as herbicides and/or plant growth regulators | BAYER CROPSCIENCE AKTIENGESELLSHAFT (DE) | 2017-06-15 | — | — | US | disclosed |
| WO-2013018057-A2 | FIBRE REACTIVE BISAZO REACTIVE COLORANTS, MIXTURES OF REACTIVE COLORANTS, PRODUCTION AND USE THEREOF | COLOURTEX INDUSTRIES LIMITED (IN) | 2013-02-07 | — | — | WO | disclosed |
| US-20110173763-A1 | MODIFIED CELLULOSIC MATERIALS | THE SECRETARY OF STATE FOR DEFENCE (GB) | 2011-07-21 | — | — | US | disclosed |
| EP-0773264-B1 | Process for the preparation of triphenodioxazine dyes amidated on both sides and triphenodioxazine dyes | DYSTAR TEXTILFARBEN GMBH & CO (DE) | 2001-10-10 | — | — | EP | disclosed |
| EP-0773264-A1 | Process for the preparation of triphenodioxazine dyes amidated on both sides and triphenodioxazine dyes | DyStar Textilfarben GmbH & Co. Deutschland KG (DE) | 1997-05-14 | — | — | EP | disclosed |