⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13613124 | 1.00 | — | — | |
| SCHEMBL1426661 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL3288007 | 0.96 | — | — | |
| SCHEMBL1343930 | 0.82 | — | — | |
| SCHEMBL21424233 | 0.82 | — | — | |
| SCHEMBL1342663 | 0.82 | — | — | |
| SCHEMBL2706039 | 0.77 | TSHR (0.44) | — | |
| SCHEMBL9980147 | 0.77 | — | — | |
| SCHEMBL10449696 | 0.75 | TSHR (0.50) | — | |
| SCHEMBL17935653 | 0.75 | TSHR (0.50) | — |
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-11858943-B2 | Vasopressin receptor antagonists and products and methods related thereto | Neumora Therapeutics, Inc. (US) | 2024-01-02 | — | — | US | disclosed |
| WO-2019204490-A1 | MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF | CONSTELLATION PHARMACEUTICALS, INC. (US) | 2019-10-24 | — | — | WO | disclosed |
| US-6441190-B1 | REACTING PYRIDINEDICARBOXYLIC ACID ANHYDRIDE OR PHTHALIC ANHYDRIDE COMPOUND WITH (R)2- AMINO-2,3-DIMETHYLBUTYRONITRILE IN PRESENCE OF WATER-FREE SOLVENT, HYDROLYSIS, TREATING WITH BASE; SEPARATION TO OBTAIN IMIDAZOLINONE COMPOUND | BASF AKTIENGESELLSCHAFT (DE) | 2002-08-27 | — | — | US | disclosed |
| US-20020077253-A1 | PROCESS FOR THE PREPARATION OF CHIRAL NICOTINIC, QUINOLINIC OR BENZOIC ACID IMIDAZOLINONE HERBICIDES | INTELLECTUAL PROPERTY DEPARTMENT (DE) | 2002-06-20 | — | — | US | disclosed |
| US-6339158-B1 | REACTING PYRIDINE OR QUINOLINE-2,3-DICARBOXYLIC ACID ANHYDRIDE DERIVATIVE WITH 2-AMINO-2,3-DIMETHYLBUTYRONITRILE IN PRESENCE OF NON-POLAR, WATER-FREE SOLVENT, TERTIARY AMINE, HYDROLYSIS, REACTING WITH BASE, SEPARATION, ACIDIFICATION | AMERICAN CYANAMID CO. | 2002-01-15 | — | — | US | disclosed |