⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19252726 | 0.84 | ESR1 (0.31) | — | |
| SCHEMBL6053573 | 0.78 | THRB (0.42) | — | |
| SCHEMBL6562007 | 0.72 | — | — | |
| SCHEMBL16714798 | 0.69 | — | — | |
| Phosphonic Acid SCHEMBL1966052 | 0.68 | — | — | |
| SCHEMBL29001752 | 0.67 | — | — | |
| Phosphonic Acid SCHEMBL20530382 | 0.64 | THRB (0.48) | — | |
| Phosphonic Acid SCHEMBL20530381 | 0.64 | THRB (0.48) | — | |
| Perflexane SCHEMBL20530385 | 0.64 | THRB (0.48) | — | |
| Perflexane SCHEMBL20530384 | 0.64 | THRB (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009011577-A1 | PROCESSES FOR SEPARATION OF GASES USING IONIC LIQUIDS | NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) | 2009-01-22 | — | — | WO | claimed |
| EP-3353185-A1 | BISMUTH PERFLUOROALKYLPHOSPHINATES AS LEWIS ACID CATALYSTS | Merck Patent GmbH (DE) | 2018-08-01 | — | — | EP | disclosed |
| CN-108091826-A | Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2018-05-29 | — | — | CN | disclosed |
| CN-106848406-A | Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2017-06-13 | — | — | CN | disclosed |
| CN-105633345-A | Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same | MITSUBISHI CHEM CORP | 2016-06-01 | — | — | CN | disclosed |
| CN-103259044-B | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEMICAL CORP. (JP) | 2016-02-10 | — | — | CN | disclosed |
| CN-104868157-A | Nonaqueous electrolyte solution for secondary battery and nonaqueous electrolyte secondary battery using same | MITSUBISHI CHEM CORP | 2015-08-26 | — | — | CN | disclosed |