SCHEMBL14744378

SCHEMBL14744378

CCCCc1nc(C)c[nH]1.F[B-](F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
PARP1 P09874 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
GPR84 Q9NQS5 2/20 0.32
NOS2 P35228 1/20 0.32
GSK3B P49841 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
SCHEMBL27513234 0.98 HRH3 (0.37) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL2037718 0.93 HRH3 (0.42) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL28296900 0.91 GLA (0.31)
Water SCHEMBL27852290 0.91 HRH3 (0.41) HRH3ALDH1A1MAPK1PARP1PKM
Hydrochloric Acid SCHEMBL14743464 0.91 HRH3 (0.41) HRH3ALDH1A1MAPK1PARP1PKM
Bromide SCHEMBL27667394 0.91 HRH3 (0.41) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL27686422 0.89 HRH3 (0.38) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL5846460 0.87 HRH3 (0.39) HRH3ALDH1A1MAPK1PARP1PKM
SCHEMBL5897906 0.87 ALDH1A1 (0.43) ALDH1A1PKMHPGDGPR84
SCHEMBL24880067 0.85 ALDH1A1 (0.46) ALDH1A1PKMHPGDGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102746138-B Method for preparing succinic acid by using ionic liquid to catalyze hydrolysis of dimethyl succinate XUYANG CHEMICAL TECHNOLOGY RES INST CO LTD 2015-01-07 CN claimed
CN-102746138-A Method for preparing succinic acid by using ionic liquid to catalyze hydrolysis of dimethyl succinate BEIJING RISUN CHEMICALS TECHNOLOGY RES CO LTD 2012-10-24 CN claimed
EP-3453695-B1 A PROCESS FOR THE PRODUCTION OF OLEFINS AND USE THEREOF DO CARMO ROBERTO WERNECK (BR) 2021-03-24 EP disclosed
EP-3453695-A1 A PROCESS FOR THE PRODUCTION OF OLEFINS AND USE THEREOF Do Carmo, Roberto, Werneck (BR) 2019-03-13 EP disclosed
EP-2751056-B1 A PROCESS FOR THE PRODUCTION OF OLEFINS AND USE THEREOF DO CARMO ROBERTO WERNECK (BR) 2018-09-19 EP disclosed
US-9181143-B2 Process for the production of olefins and use thereof BRASKEM S.A. (BR) 2015-11-10 US disclosed
US-20150087866-A1 PROCESS FOR THE PRODUCTION OF OLEFINS AND USE THEREOF UNIVERSIDADE FEDERAL DO RIO GRANDE DO SUL-UFRGS (BR) 2015-03-26 US disclosed
CN-102746138-B Method for preparing succinic acid by using ionic liquid to catalyze hydrolysis of dimethyl succinate XUYANG CHEMICAL TECHNOLOGY RES INST CO LTD 2015-01-07 CN disclosed
EP-2751056-A2 A PROCESS FOR THE PRODUCTION OF OLEFINS AND USE THEREOF Do Carmo, Roberto, Werneck (BR) 2014-07-09 EP disclosed
WO-2013030677-A2 A PROCESS FOR THE PRODUCTION OF OLEFINS AND USE THEREOF DO CARMO ROBERTO WERNECK (BR) 2013-03-07 WO disclosed
CN-102746138-A Method for preparing succinic acid by using ionic liquid to catalyze hydrolysis of dimethyl succinate BEIJING RISUN CHEMICALS TECHNOLOGY RES CO LTD 2012-10-24 CN disclosed