SCHEMBL4656441

SCHEMBL4656441

N#CC(C#N)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
MAOB P27338 1/20 0.46
TAAR1 Q96RJ0 4/20 0.44
CTSC P53634 3/20 0.44
SLC6A2 P23975 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
TSHR P16473 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
SLC18A2 Q05940 1/20 0.41
ANPEP P15144 1/20 0.41
CYP2D6 P10635 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL11497887 0.87 CTSC (0.44) EPHX1MAOBTAAR1CTSCSLC6A2
SCHEMBL1343851 0.80 EPHX1 (0.48) EPHX1MAOBTAAR1CTSCSLC6A2
SCHEMBL1752148 0.76 SIGMAR1 (0.52) EPHX1MAOBTAAR1SLC6A2SIGMAR1
SCHEMBL9404074 0.76 CYP1A2 (0.45) EPHX1MAOBTAAR1CTSCSLC6A2
SCHEMBL6337448 0.76 TSHR (0.46) EPHX1MAOBTAAR1CTSCSLC6A2
SCHEMBL8390665 0.76 CTSC (0.46) EPHX1MAOBTAAR1CTSCSLC6A2
SCHEMBL4638123 0.76 EPHX1 (0.44) EPHX1MAOBTAAR1CTSCSLC6A2
SCHEMBL10940258 0.76 EPHX1 (0.44) EPHX1MAOBTAAR1CTSCSLC6A2
SCHEMBL6334251 0.76 TSHR (0.46) EPHX1MAOBTAAR1CTSCSLC6A2
SCHEMBL1443060 0.76 TRPA1 (0.44) MAOBTAAR1MAOACYP1A2ALDH1A1

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 383 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119419339-A Solid electrolyte and battery 深圳好电科技有限公司 2025-02-11 CN claimed
US-20250038256-A1 NITRILE ADDITIVES FOR ELECTROLYTES OF BATTERIES INCLUDING LITHIUM- AND MANGANESE-RICH POSITIVE ELECTRODES GM Global Technology Operations LLC 2025-01-30 US claimed
CN-119315086-A Nitrile additives for electrolytes of batteries including lithium-rich manganese positive electrodes 通用汽车环球科技运作有限责任公司 2025-01-14 CN claimed
CN-114512719-B Eutectic solvent-based electrolyte and application thereof 中国科学院青岛生物能源与过程研究所 2024-12-03 CN claimed
CN-118879245-A Negative electrode binder, negative electrode plate and battery 深圳好电科技有限公司 2024-11-01 CN claimed
CN-118421302-A Synthesis method of dual-band ultra-long afterglow material 桂林理工大学 2024-08-02 CN claimed
CN-118271206-A Preparation method and application of benzyl allyl dinitrile substituted diacetylene derivative and vesicle thereof 安徽师范大学 2024-07-02 CN claimed
CN-117855377-A Composite pole piece, preparation method and application thereof, and low-temperature lithium ion battery 中科超能(深圳)新能源科技有限公司 2024-04-09 CN claimed
CN-114512719-A Eutectic solvent-based electrolyte and application thereof 中国科学院青岛生物能源与过程研究所 2022-05-17 CN claimed
CN-108812681-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2021-02-26 CN claimed
CN-104981160-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2015-10-14 CN claimed
CN-104822266-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2015-08-05 CN claimed
CN-102388059-B Pesticidal compositions DOW AGROSCIENCES LLC 2015-03-04 CN claimed
CN-104378986-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2015-02-25 CN claimed
CN-104093308-A Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC 2014-10-08 CN claimed
CN-104010505-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2014-08-27 CN claimed
CN-103826452-A Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC 2014-05-28 CN claimed
CN-103748089-A Pesticidal compositions and methods relating thereto DOW AGROSCIENCES LLC 2014-04-23 CN claimed
CN-103619171-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2014-03-05 CN claimed
CN-103281901-A Pesticidal compositions and methods related thereto DOW AGROSCIENCES LLC 2013-09-04 CN claimed