⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12762326 | 0.91 | SAT1 (0.48) | — | |
| SCHEMBL16814868 | 0.87 | SAT1 (0.57) | — | |
| SCHEMBL12914742 | 0.87 | SAT1 (0.57) | — | |
| SCHEMBL16815019 | 0.84 | LPAR3 (0.56) | — | |
| SCHEMBL7717618 | 0.84 | — | — | |
| SCHEMBL16815002 | 0.84 | LPAR3 (0.56) | — | |
| SCHEMBL16815020 | 0.84 | LPAR3 (0.56) | — | |
| SCHEMBL11952605 | 0.82 | SAT1 (0.42) | — | |
| SCHEMBL7712255 | 0.82 | CYP3A4 (0.39) | — | |
| SCHEMBL16450273 | 0.82 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106750175-A | A kind of flame-retardant aqueous polyurethane and preparation method thereof, adhesive and preparation method thereof | 中国科学院长春应用化学研究所 | 2017-05-31 | — | — | CN | claimed |
| CN-102186936-B | Self-etching cementitious substrate coating compositions | VALSPAR SOURCING INC | 2014-12-24 | — | — | CN | claimed |
| US-6380273-B1 | USING HYDROXYALKYL PHOSPHONATES AS HALOGEN-FREE FLAME RETARDANTS AND AS CORE DISCOLORATION INHIBITORS FOR PRODUCING FLAME-RESISTANT FOAMS | CLARIANT GMBH (DE) | 2002-04-30 | — | — | US | claimed |
| CN-107075097-A | Catalyst composition for polyester production process | 科莱恩塑料和涂料有限公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-106750175-A | A kind of flame-retardant aqueous polyurethane and preparation method thereof, adhesive and preparation method thereof | 中国科学院长春应用化学研究所 | 2017-05-31 | — | — | CN | disclosed |
| CN-105980322-A | Anti-fouling composition for dry and wet soils | 3M创新有限公司 | 2016-09-28 | — | — | CN | disclosed |
| CN-102186936-B | Self-etching cementitious substrate coating compositions | VALSPAR SOURCING INC | 2014-12-24 | — | — | CN | disclosed |
| US-20140073631-A1 | ANTIVIRAL AND ANTIMICROBIAL COMPOUNDS | VYMED CORPORATION (US) | 2014-03-13 | — | — | US | disclosed |
| US-6380273-B1 | USING HYDROXYALKYL PHOSPHONATES AS HALOGEN-FREE FLAME RETARDANTS AND AS CORE DISCOLORATION INHIBITORS FOR PRODUCING FLAME-RESISTANT FOAMS | CLARIANT GMBH (DE) | 2002-04-30 | — | — | US | disclosed |