⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1028601 | 1.00 | — | — | |
| SCHEMBL1031302 | 1.00 | — | — | |
| SCHEMBL13217913 | 0.70 | — | — | |
| SCHEMBL455006 | 0.70 | — | — | |
| SCHEMBL1059665 | 0.67 | — | — | |
| SCHEMBL3096553 | 0.67 | — | — | |
| SCHEMBL140035 | 0.67 | — | — | |
| Fluoromethane SCHEMBL18037036 | 0.67 | — | — | |
| SCHEMBL19231408 | 0.67 | — | — | |
| SCHEMBL477963 | 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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230014137-A1 | COMPOUND HAVING LYSOPHOSPHATIDIC ACID RECEPTOR AGONIST ACTIVITY AND PHARMACEUTICAL USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2023-01-19 | — | — | US | disclosed |
| WO-2021107125-A1 | COMPOUND HAVING LYSOPHOSPHATIDIC ACID RECEPTOR AGONISTIC ACTIVITY AND PHARMACEUTICAL USE OF SAID COMPOUND | 小野薬品工業株式会社 | 2021-06-03 | — | — | WO | disclosed |
| US-9853326-B2 | Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2017-12-26 | — | — | US | disclosed |
| EP-2903965-B1 | N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS | ORION CORP (FI) | 2017-03-01 | — | — | EP | disclosed |
| US-9533952-B2 | N-prop-2-ynyl carboxamide derivatives and their use as TRPA1 antagonists | ORION CORPORATION (FI) | 2017-01-03 | — | — | US | disclosed |
| US-20150376130-A1 | N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS | Orlon Corporation (FI) | 2015-12-31 | — | — | US | disclosed |
| EP-2903965-A1 | N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS | Orion Corporation (FI) | 2015-08-12 | — | — | EP | disclosed |
| US-9093716-B2 | Nonaqueous electrolyte for secondary battery and nonaqueous-electrolyte secondary battery employing the same | MITSUBISHI CHEMICAL CORPORATION (JP) | 2015-07-28 | — | — | US | disclosed |
| WO-2014053694-A1 | N-PROP-2-YNYL CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS | ORION CORPORATION (FI) | 2014-04-10 | — | — | WO | disclosed |
| US-20130216918-A1 | NONAQUEOUS ELECTROLYTE FOR SECONDARY BATTERY AND NONAQUEOUS-ELECTROLYTE SECONDARY BATTERY EMPLOYING THE SAME | MITSUBISHI CHEMICAL CORPORATION (JP) | 2013-08-22 | — | — | US | disclosed |
| WO-2012145361-A1 | MODULATORS OF THE GPR119 RECEPTOR AND THE TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARMACEUTICALS, INC. (US) | 2012-10-26 | — | — | WO | disclosed |
| EP-1812416-A1 | ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR | Abbott GmbH & Co. KG (DE) | 2007-08-01 | — | — | EP | disclosed |
| EP-1809597-A1 | AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | Abbott GmbH & Co. KG (DE) | 2007-07-25 | — | — | EP | disclosed |
| WO-2006040178-A9 | ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO KG (DE) | 2007-04-19 | — | — | WO | disclosed |
| WO-2006040178-A1 | ARYLSULFONYLMETHYL OR ARYLSULFONAMIDE SUBSTITUTED AROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MADULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO.KG (DE) | 2006-04-20 | — | — | WO | disclosed |
| WO-2006040179-A1 | AMINOETHYLAROMATIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR | ABBOTT GMBH & CO. KG (DE) | 2006-04-20 | — | — | WO | disclosed |
| EP-0861237-A1 | SUBSTITUTED 1-METHYL-3-PHENYLPYRAZOLES AND THE USE THEREOF AS HERBICIDES AND FOR THE DESICCATION OR DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997018195-A1 | SUBSTITUTED 1-METHYL-3-PHENYLPYRAZOLES AND THE USE THEREOF AS HERBICIDES AND FOR THE DESICCATION OR DEFOLIATION OF PLANTS | BASF AKTIENGESELLSCHAFT (DE) | 1997-05-22 | — | — | WO | disclosed |