SCHEMBL3196715

SCHEMBL3196715

C=COCC.N#CCC#N

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 1/20 0.31

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
Water SCHEMBL27760872 0.84
Water SCHEMBL27166984 0.84 TSHR (0.30)
Acrylonitrile SCHEMBL28882188 0.82
SCHEMBL29133592 0.81 TSHR (0.32)
SCHEMBL2578 0.81
SCHEMBL28219780 0.78
Fluoride SCHEMBL15259547 0.78
Hydrochloric Acid SCHEMBL11735071 0.78
SCHEMBL28176518 0.78
SCHEMBL30336744 0.78

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115232117-B Substituted isoxazole pyrimidine amine compound, preparation method and application thereof 沈阳中化农药化工研发有限公司 2024-07-16 CN disclosed
CN-117800973-A Salts of PI3K inhibitors and methods of making the same 因赛特控股公司 2024-04-02 CN disclosed
CN-117777139-A Salts of PI3K inhibitors and methods of making the same 因赛特控股公司 2024-03-29 CN disclosed
CN-117736209-A Salts of PI3K inhibitors and methods of making the same 因赛特控股公司 2024-03-22 CN disclosed
CN-117280504-A Alkali metal galvanic cell with geminal dinitrile additive 利特罗尼克电池技术有限公司 2023-12-22 CN disclosed
CN-110964037-B Pyrimidine-fused ring-containing compound and preparation method and application thereof 沈阳中化农药化工研发有限公司 2023-03-28 CN disclosed
CN-115232117-A Substituted isoxazole pyrimidinamine compound and preparation method and application thereof 沈阳中化农药化工研发有限公司 2022-10-25 CN disclosed
CN-108069984-B Substituted five-membered heterocyclic compound containing pyrimido ring and preparation method and application thereof 沈阳中化农药化工研发有限公司 2021-02-05 CN disclosed
CN-108069973-B Substituted six-membered heterocyclic compound containing pyrimido ring and preparation method and application thereof 沈阳中化农药化工研发有限公司 2020-08-11 CN disclosed
CN-110964037-A Pyrimidine-fused ring-containing compound and preparation method and application thereof 沈阳中化农药化工研发有限公司 2020-04-07 CN disclosed
US-7745020-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2010-06-29 US disclosed
US-7666869-B2 to provide an aliphatic nitrogen-containing 5-membered ring compound represented by the formula [I]:** Image-1wherein symbols in the formula have the following meanings;A: CH2 or S , antidiabetic agents MITSUBISHI TANABE PHARMA CORP. (JP) 2010-02-23 US disclosed
EP-1323710-B1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2008-09-10 EP disclosed
US-20080193795-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-08-14 US disclosed
US-20080153821-A1 Nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. 2008-06-26 US disclosed
WO-2007078185-A1 METALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME INDUSTRY-UNIVERSITY COOPERATION FOUNDATION, HANYANG UNIVERSITY (KR) 2007-07-12 WO disclosed
US-7138397-B2 Nitrogenous 5-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2006-11-21 US disclosed
CN-1633436-A Pyrrolopyrimidine derivatives TEIJIN LTD (JP) 2005-06-29 CN disclosed
US-20050054678-A1 Nitrogenous five-membered ring compounds TANABE SEIYAKU CO., LTD. (JP) 2005-03-10 US disclosed
EP-1323710-A1 NITROGENOUS FIVE-MEMBERED RING COMPOUNDS Tanabe Seiyaku Co., Ltd. (JP) 2003-07-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050054678-A1 Nitrogenous five-membered ring compounds ALK, NPR1, SCO2 ALDH1A1 2658/4885CASP1 2934/4885
US-20080193795-A1 Metallic Compound and Organic Electroluminescence Device Comprising the Same PRMT5, CHRM5, PRMT6 ALDH1A1 1810/4885CASP1 3120/4885
US-20080153821-A1 Nitrogen-containing 5-membered ring compound ALK, SCO2, NPR1 ALDH1A1 2491/4885CASP1 2822/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.