⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2780501 | 1.00 | — | — | |
| SCHEMBL9003239 | 1.00 | — | — | |
| Hydrogen Peroxide SCHEMBL29015874 | 0.95 | NFE2L2 (0.60) | — | |
| Dimethyl Maleate SCHEMBL75864 | 0.81 | NFE2L2 (1.00) | — | |
| Dimethyl Fumarate SCHEMBL11668350 | 0.81 | NFE2L2 (1.00) | — | |
| Dimethyl Fumarate SCHEMBL41836 | 0.81 | NFE2L2 (1.00) | — | |
| Dimethyl Fumarate SCHEMBL41835 | 0.81 | NFE2L2 (1.00) | — | |
| Dimethyl Maleate SCHEMBL7057629 | 0.78 | NFE2L2 (0.93) | — | |
| Dimethyl Maleate SCHEMBL6505431 | 0.78 | NFE2L2 (0.93) | — | |
| Dimethyl Fumarate SCHEMBL21219085 | 0.78 | NFE2L2 (0.93) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8642624-B2 | Substituted alkylamine derivatives and methods of use | AMGEN INC. (US) | 2014-02-04 | — | — | US | disclosed |
| EP-2343134-B1 | METHOD FOR PRODUCING THIOL FUNCTIONALISED COATINGS | SURFACE INNOVATIONS LTD (GB) | 2013-08-28 | — | — | EP | disclosed |
| US-20120065185-A1 | SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE | AMGEN INC. (US) | 2012-03-15 | — | — | US | disclosed |
| US-7687643-B2 | Process for preparing 3,3-dimethylindolines | AMGEN INC. (US) | 2010-03-30 | — | — | US | disclosed |
| US-20090325933-A1 | Pyrimidinone Derivatives and Their Use as a Drug | IPSEN PHARMA S.A.S. (FR) | 2009-12-31 | — | — | US | disclosed |