SCHEMBL3842012

SCHEMBL3842012

CCCCc1c[nH]c(CC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
KCNH2 Q12809 1/20 0.38
NOS2 P35228 1/20 0.38
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
PDPK1 O15530 1/20 0.33
PARP1 P09874 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
IDO1 P14902 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL4055366 0.94 KCNH2 (0.46) HRH3KCNH2ALDH1A1PKMHPGD
SCHEMBL8858270 0.92 KCNH2 (0.48) HRH3KCNH2ALDH1A1PKMHPGD
SCHEMBL6889381 0.92 KCNH2 (0.48) HRH3KCNH2ALDH1A1PKMHPGD
SCHEMBL28376279 0.92 KCNH2 (0.48) HRH3KCNH2ALDH1A1PKMHPGD
SCHEMBL3840247 0.90 HRH3 (0.42) HRH3KCNH2NOS2ESR1ESR2
SCHEMBL3841860 0.88 HRH3 (0.41) HRH3KCNH2NOS2ESR1ESR2
Hydrochloric Acid SCHEMBL28183399 0.88 HRH3 (0.41) HRH3KCNH2NOS2ESR1ESR2
SCHEMBL3696816 0.88 BACE1 (0.35) HRH3NOS2ALDH1A1PDPK1
Nitric Acid SCHEMBL28185790 0.87 GAA (0.33) HRH3KCNH2NOS2GABRPGABRD
SCHEMBL27799709 0.86 HRH3 (0.33) HRH3KCNH2NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117080543-A Polyelectrolyte composition and preparation method thereof 科腾聚合物荷兰有限责任公司 2023-11-17 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-117384373-A Separation method of inert active perfluoropolyether 浙江创氟高科新材料有限公司 2024-01-12 CN disclosed
CN-117362626-A End capping method of perfluoropolyether and end capped perfluoropolyether obtained by end capping method 浙江创氟高科新材料有限公司 2024-01-09 CN disclosed
CN-117080543-A Polyelectrolyte composition and preparation method thereof 科腾聚合物荷兰有限责任公司 2023-11-17 CN disclosed
CN-107427758-A Utilize the separation of ion liquid solvent 切弗朗菲利浦化学公司 2017-12-01 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
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-20090252970-A1 POLYMERIC COMPOSITION COMPRISING METAL ALKOXIDE CONDENSATION PRODUCT, ORGANIC SILANE COMPOUND AND BORON COMPOUND NITTO BOSEKI CO., LTD. (JP) 2009-10-08 US disclosed
CN-101522809-A Polymer composition containing metal alkoxide condensation product, organosilane compound and boron compound NITTO BOSEKI CO LTD (JP) 2009-09-02 CN disclosed
EP-2072582-A1 POLYMERIC COMPOSITION COMPRISING METAL ALKOXIDE CONDENSATION PRODUCT, ORGANIC SILANE COMPOUND AND BORON COMPOUND Nitto Boseki CO., LTD. (JP) 2009-06-24 EP disclosed