⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31476474 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL28632671 | 0.71 | — | — | |
| SCHEMBL989972 | 0.71 | — | — | |
| SCHEMBL4332630 | 0.71 | — | — | |
| SCHEMBL375633 | 0.69 | TP53 (0.47) | — | |
| SCHEMBL31243778 | 0.69 | — | — | |
| Fluoride SCHEMBL9247624 | 0.69 | TP53 (0.40) | — | |
| SCHEMBL143955 | 0.67 | — | — | |
| SCHEMBL26110798 | 0.67 | TP53 (0.44) | — | |
| SCHEMBL61971 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-101351468-B | Salt of carboxyethyl phosphinate ester and flame retardant thermoplastic resin composition containing the same | CHEIL IND INC | 2012-01-25 | — | — | CN | disclosed |
| CN-101351468-A | Salt of carboxyethyl phosphinate ester and flame retardant thermoplastic resin composition containing the same | CHEIL IND INC (KR) | 2009-01-21 | — | — | CN | disclosed |
| EP-1968989-A1 | SALT OF CARBOXYETHYL PHOSPHINATE ESTER AND FLAME RETARDANT THERMOPLASTIC RESIN COMPOSITION CONTAINING THE SAME | Cheil Industries Inc. (KR) | 2008-09-17 | — | — | EP | disclosed |
| WO-2007078028-A1 | SALT OF CARBOXYETHYL PHOSPHINATE ESTER AND FLAME RETARDANT THERMOPLASTIC RESIN COMPOSITION CONTAINING THE SAME | CHEIL INDUSTRIES INC. (KR) | 2007-07-12 | — | — | WO | disclosed |
| EP-1742642-A2 | PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2007-01-17 | — | — | EP | disclosed |
| WO-2005117904-A2 | PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2005-12-15 | — | — | WO | disclosed |