⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5159824 | 0.78 | — | — | |
| SCHEMBL26377803 | 0.78 | — | — | |
| SCHEMBL26690680 | 0.78 | ESR1 (0.34) | — | |
| SCHEMBL31210157 | 0.78 | ESR1 (0.34) | — | |
| SCHEMBL31473051 | 0.77 | TRPV4 (0.39) | — | |
| SCHEMBL14249391 | 0.77 | CES2 (0.38) | — | |
| SCHEMBL2513757 | 0.76 | TRPV4 (0.30) | — | |
| SCHEMBL18245388 | 0.74 | — | — | |
| SCHEMBL2138209 | 0.74 | CES2 (0.33) | — | |
| SCHEMBL31588414 | 0.74 | TRPV4 (0.48) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112624957-A | Synthetic method of 3-alkyl isoindolinone derivatives | 江苏食品药品职业技术学院 | 2021-04-09 | — | — | CN | claimed |
| US-8110636-B1 | Multi-block sulfonated poly(phenylene) copolymer proton exchange membranes | SANDIA CORPORATION (US) | 2012-02-07 | — | — | US | claimed |
| CN-112624957-A | Synthetic method of 3-alkyl isoindolinone derivatives | 江苏食品药品职业技术学院 | 2021-04-09 | — | — | CN | disclosed |
| WO-2012172093-A1 | DIHYDROINDOLIZINE DERIVATE AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS | MERZ PHARMA GMBH & CO. KGAA (DE) | 2012-12-20 | — | — | WO | disclosed |
| US-8110636-B1 | Multi-block sulfonated poly(phenylene) copolymer proton exchange membranes | SANDIA CORPORATION (US) | 2012-02-07 | — | — | US | disclosed |
| US-4892975-A | Diethynyl monomers and polymers thereof | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 1990-01-09 | — | — | US | disclosed |