SCHEMBL3840247

SCHEMBL3840247

CCCCc1c[nH]c(CCCC)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
KCNH2 Q12809 1/20 0.39
NOS2 P35228 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
PARP1 P09874 1/20 0.37
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
GPR84 Q9NQS5 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
Hydrochloric Acid SCHEMBL28183399 0.98 HRH3 (0.41) HRH3KCNH2NOS2ALDH1A1MAPK1
SCHEMBL27934300 0.94 KCNH2 (0.48) HRH3KCNH2ALDH1A1PKMHPGD
SCHEMBL28272718 0.94 KCNH2 (0.48) HRH3KCNH2ALDH1A1PKMHPGD
SCHEMBL3841860 0.94 HRH3 (0.41) HRH3KCNH2NOS2ALDH1A1MAPK1
SCHEMBL3841613 0.94 HRH3 (0.41) HRH3KCNH2NOS2ALDH1A1MAPK1
SCHEMBL1063754 0.94 KCNH2 (0.47) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL730079 0.92 KCNH2 (0.50) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL9817100 0.92 KCNH2 (0.50) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL4445935 0.92 KCNH2 (0.50) KCNH2ALDH1A1PKMHPGDGPR84
SCHEMBL10697416 0.92 KCNH2 (0.50) KCNH2ALDH1A1PKMHPGDGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108474142-A Lyocell fibers and its manufacturing method 可隆工业株式会社 2018-08-31 CN claimed
CN-102630230-A A process of manufacturing low-fibrillating cellulosic fibers GRASIM IND LTD 2012-08-08 CN claimed
WO-2024219430-A1 LATENT CURING AGENT AND ONE-PACK EPOXY RESIN COMPOSITION 株式会社T&K TOKA 2024-10-24 WO disclosed
CN-107971655-B High-heat-resistance organic solder flux and application thereof 永星化工(上海)有限公司 2019-12-27 CN disclosed
CN-107413379-A For alkyl carbonate and the catalyst and preparation method of aryl alcohol transesterification reaction 濮阳市宏源石油化工有限公司 2017-12-01 CN disclosed
CN-105980528-A Removal of aromatic impurities from an olefin stream using an acid catalyst 沙特基础工业公司 2016-09-28 CN disclosed
US-9029449-B2 Polymeric composition comprising metal alkoxide condensation product, organic silane compound and boron compound NITTO BOSEKI CO., LTD. (JP) 2015-05-12 US disclosed
CN-102046562-B Process for preparing advanced ceramic powder using onium dicarboxylates SACHEM INC 2014-04-02 CN disclosed
CN-102630230-A A process of manufacturing low-fibrillating cellulosic fibers GRASIM IND LTD 2012-08-08 CN disclosed
EP-2072582-B1 POLYMERIC COMPOSITION COMPRISING METAL ALKOXIDE CONDENSATION PRODUCT, ORGANIC SILANE COMPOUND AND BORON COMPOUND NITTO BOSEKI CO LTD (JP) 2011-12-07 EP disclosed
CN-101522809-B Polymer composition containing metal alkoxide condensation product, organosilane compound and boron compound NITTO BOSEKI CO LTD 2011-10-26 CN disclosed
US-5994421-A CROSSLINKING SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-30 US disclosed
US-5674879-A Compositions including and methods of using conformationally restricted angiotensin II antagonist G.D. SEARLE & CO. (US) 1997-10-07 US disclosed
EP-0789062-A1 WATER-ABSORBENT RESIN DISPERSION AND POLYURETHANE COMPOSITION SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-13 EP disclosed
US-5426105-A Cardiovascular disorders G.D. SEARLE & CO. (US) 1995-06-20 US disclosed
EP-0332075-B1 PROCESS FOR THE PREPARATION OF ACYLATED IMIDAZOLES BASF Aktiengesellschaft (DE) 1993-06-02 EP disclosed
EP-0300324-B1 PROCESS FOR THE PRODUCTION OF ACYLATED IMIDAZOLES AND PYRAZOLES BASF Aktiengesellschaft (DE) 1992-07-22 EP disclosed
US-4924000-A Preparation of acylated imidazoles BASF AKTIENGESELLSCHAFT (DE) 1990-05-08 US disclosed
EP-0332075-A1 Process for the preparation of acylated imidazoles BASF Aktiengesellschaft (DE) 1989-09-13 EP disclosed
EP-0300324-A1 Process for the production of acylated imidazoles and pyrazoles BASF Aktiengesellschaft (DE) 1989-01-25 EP disclosed