⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9244226 | 0.97 | ALDH1A1 (1.00) | — | |
| SCHEMBL167 | 0.97 | — | — | |
| SCHEMBL9145211 | 0.97 | ALDH1A1 (1.00) | — | |
| SCHEMBL10829719 | 0.94 | — | — | |
| SCHEMBL1873677 | 0.94 | — | — | |
| Iodide SCHEMBL3910065 | 0.94 | — | — | |
| SCHEMBL2370814 | 0.94 | ALDH1A1 (0.94) | — | |
| Bromide SCHEMBL5133664 | 0.94 | — | — | |
| SCHEMBL22799036 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL19552313 | 0.94 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111269142-B | Method for catalyzing benzylidene malononitrile compound by SBA-15 supported ionic liquid | 三峡大学 | 2023-03-31 | — | — | CN | disclosed |
| CN-111269142-A | Method for catalyzing benzylidene malononitrile compound by SBA-15 supported ionic liquid | 三峡大学 | 2020-06-12 | — | — | CN | disclosed |
| CN-109790679-A | The manufacturing method of hydrophobing agent composition and hydrophobic fibre product | 日华化学株式会社 | 2019-05-21 | — | — | CN | disclosed |
| CN-108252082-A | The manufacturing method of waterproofing agent composite, water proofing property fibre and water proofing property fibre | 日华化学株式会社 | 2018-07-06 | — | — | CN | disclosed |
| US-9593215-B2 | Polymer useful for an ion exchange membrane | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-03-14 | — | — | US | disclosed |
| US-20160222177-A1 | Novel Polymer Useful for an Ion Exchange Membrane | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-08-04 | — | — | US | disclosed |
| EP-1309559-B1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2006-06-07 | — | — | EP | disclosed |
| US-6770637-B2 | N-(3,5-BIS-TRIFLUOROMETHYL-BENZYL)-6-(4-HYDROXYACETYL-PIPERAZIN-1 -YL)-N-METHYL-4-O-TOLYL-NICOTINAMIDE, FOR EXAMPLE | HOFFMANN-LA ROCHE INC. | 2004-08-03 | — | — | US | disclosed |
| EP-1309559-A1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2003-05-14 | — | — | EP | disclosed |
| US-20020040040-A1 | Substituted 4-phenyl-pyridine compounds with activity as antagonists of neurokinin 1 receptors | F. HOFFMAN-LA ROCHE AG (CH) | 2002-04-04 | — | — | US | disclosed |
| WO-2002016324-A1 | 4-PHENYL-PYRIDINE DERIVATIVES AS NEUROKININ-1 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-28 | — | — | WO | disclosed |