⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28355582 | 0.70 | — | — | |
| SCHEMBL17201457 | 0.63 | — | — | |
| SCHEMBL17968658 | 0.63 | — | — | |
| Hydrogen Sulfide SCHEMBL8811593 | 0.60 | — | — | |
| SCHEMBL17105829 | 0.60 | — | — | |
| SCHEMBL14989358 | 0.56 | — | — | |
| SCHEMBL16031415 | 0.56 | — | — | |
| SCHEMBL5145 | 0.54 | — | — | |
| SCHEMBL13888881 | 0.54 | — | — | |
| SCHEMBL3279403 | 0.54 | — | — |
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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | claimed |
| CN-112574076-B | Preparation method of difluoromethyl sulfone compound | 中国科学院上海有机化学研究所 | 2022-08-09 | — | — | CN | claimed |
| EP-3465811-B1 | NONAQUEOUS ELECTROLYTE COMPOSITIONS COMPRISING FLUORINATED SULFONES | SOLVAY (BE) | 2021-09-29 | — | — | EP | claimed |
| CN-112574076-A | Preparation method of difluoromethyl sulfone compound | 中国科学院上海有机化学研究所 | 2021-03-30 | — | — | CN | claimed |
| WO-2020141135-A1 | PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS | SYNGENTA CROP PROTECTION AG (CH) | 2020-07-09 | — | — | WO | claimed |
| EP-2758051-B1 | CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2018-04-11 | — | — | EP | claimed |
| US-9328099-B2 | Cyanomethylpyrazole carboxamides as janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-05-03 | — | — | US | claimed |
| US-20140228348-A1 | CYANOMETHYLPYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-08-14 | — | — | US | claimed |
| CN-1084853-A | Weedicide based on phosphinylidyne oxygen pyrazole derivatives | BAYER AG (DE) | 1994-04-06 | — | — | CN | claimed |
| US-20240010647-A1 | SUBSTITUTED PYRIDO[2,1-a]ISOQUINOLINES AS VMAT2 INHIBITORS | NEUROCRINE BIOSCIENCES, INC. | 2024-01-11 | — | — | US | disclosed |
| US-11718618-B2 | Substituted pyrido[2,1-a]isoquinolines as VMAT2 inhibitors | NEUROCRINE BIOSCIENCES, INC. (US) | 2023-08-08 | — | — | US | disclosed |
| US-20230159528-A1 | VMAT2 INHIBITORS AND METHODS OF USE | NEUROCRINE BIOSCIENCES, INC. | 2023-05-25 | — | — | US | disclosed |
| EP-4168409-A1 | VMAT2 INHIBITORS AND METHODS OF USE | Neurocrine Biosciences, Inc. (US) | 2023-04-26 | — | — | EP | disclosed |
| CN-112574076-B | Preparation method of difluoromethyl sulfone compound | 中国科学院上海有机化学研究所 | 2022-08-09 | — | — | CN | disclosed |
| US-20100261701-A1 | 8-Substituted isoquinoline derivative and the use thereof | ASAHI KASEI PHARMA CORPORATION (JP) | 2010-10-14 | — | — | US | disclosed |
| EP-2070989-A1 | METAL-CHELATE AZO DYE AND OPTICAL RECORDING MEDIUM | Mitsubishi Kagaku Media Co., Ltd. (JP) | 2009-06-17 | — | — | EP | disclosed |
| CN-101432923-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery | MITSUBISHI CHEM CORP (JP) | 2009-05-13 | — | — | CN | disclosed |
| CN-1080257-C | Guanidine derivatives as inhibitors of Na+/H+ exchange in cells | FUJISAWA PHARMACEUTICAL CO (JP) | 2002-03-06 | — | — | CN | disclosed |
| CN-1123545-A | Guanidine derivatives as inhibitors of Na+/H+ exchange in cells | FUJISAWA PHARMACEUTICAL CO (JP) | 1996-05-29 | — | — | CN | disclosed |
| CN-1084853-A | Weedicide based on phosphinylidyne oxygen pyrazole derivatives | BAYER AG (DE) | 1994-04-06 | — | — | CN | disclosed |