SCHEMBL32000

SCHEMBL32000

C=C(c1cccc(C(F)(F)F)c1)C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.60
SRD5A2 P31213 1/20 0.50
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
P2RX1 P51575 1/20 0.47
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
MGLL Q99685 1/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNK3 O14649 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL30461157 1.00 CES2 (0.60) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL28013821 0.85 CES1 (0.39) CES2SRD5A2MAPT
SCHEMBL8865659 0.83 CES2 (0.64) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL32016 0.80 CES2 (0.60) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL30106109 0.80 CES2 (0.60) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL8831055 0.80 CES2 (0.60) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL13064615 0.80 CES2 (0.60) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL112329 0.79 CES2 (0.54) CES2P2RX1MAPT
SCHEMBL4086253 0.79 CES2 (0.69) CES2SRD5A2LMNANPSR1P2RX1
SCHEMBL28562659 0.78 CES2 (0.58) CES2SRD5A2LMNANPSR1P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113149882-B Gem-difluoroolefin-pyrroline compound and preparation method and application thereof 西南医科大学 2023-04-07 CN disclosed
CN-113149882-A Gem-difluoroolefin-pyrroline compound and preparation method and application thereof 西南医科大学 2021-07-23 CN disclosed
CN-104277032-B PESTICIDAL (HETERO) ARYLPYRROLIDINES 拜耳作物科学公司 2017-04-12 CN disclosed
EP-3095780-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2016-11-23 EP disclosed
CN-102844299-B Desinsection aryl-pyrrolidine alkane BAYER CROPSCIENCE AG (DE) 2016-03-30 CN disclosed
US-9271499-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-01 US disclosed
US-9266830-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-23 US disclosed
CN-102741247-B Antiparasitic dihydropyrrole compounds and compositions containing the same MERIAL (US) 2016-01-20 CN disclosed
CN-103483235-B The aryl pyrrolidines of desinsection BAYER LANDWIRTSCHAFTLICHE KULTURPFLANZEN SCIENCE AG (DE) 2015-09-09 CN disclosed
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 US disclosed
EP-2148853-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2010-02-03 EP disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 WO disclosed
CN-101522672-A Insecticidal isoxazolines BAYER CROPSCIENCE AG (DE) 2009-09-02 CN disclosed
WO-2009097992-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2009-08-13 WO disclosed
WO-2009080250-A2 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-02 WO disclosed
EP-2069338-A1 INSECTICIDAL ISOXAZOLINES Bayer CropScience AG (DE) 2009-06-17 EP disclosed
WO-2008150393-A1 3-CYANO-4-TRIAZOLYL PHENYLISOXAZOLINE INVERTEBRATE PEST CONTROL AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-12-11 WO disclosed
WO-2008128711-A1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2008-10-30 WO disclosed
WO-2008122375-A2 INSECTICIDAL ARYL ISOXAZOLINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-10-16 WO disclosed
WO-2008019760-A1 INSECTICIDAL ISOXAZOLINES BAYER CROPSCIENCE AG (DE) 2008-02-21 WO disclosed