SCHEMBL3074753

SCHEMBL3074753

N=C(N)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.44
NOS2 P35228 3/20 0.42
ALDH1A1 P00352 1/20 0.34
HSD11B1 P28845 2/20 0.34
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
RECQL P46063 1/20 0.32
ADAM17 P78536 1/20 0.32
KMT2A Q03164 1/20 0.32
ADH1A P07327 3/20 0.32
ADH1C P00326 2/20 0.32
FDPS P14324 1/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
S1PR1 P21453 1/20 0.32
ALOX5 P09917 1/20 0.31
EPHX1 P07099 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
SCHEMBL3910736 0.97 NOS2 (0.43) PHGDHNOS2ALDH1A1HSD11B1ADH1A
SCHEMBL27971230 0.84 NOS2 (0.42) PHGDHNOS2ADH1AADH1CFDPS
SCHEMBL8842985 0.80 PHGDH (0.38) PHGDHNOS2ALDH1A1HSD11B1
SCHEMBL17710504 0.78 PHGDH (0.48) PHGDHNOS2ALDH1A1HSD11B1KDM4E
SCHEMBL17710517 0.78 PHGDH (0.48) PHGDHNOS2ALDH1A1HSD11B1KDM4E
SCHEMBL17710560 0.78 PHGDH (0.48) PHGDHNOS2ALDH1A1HSD11B1KDM4E
SCHEMBL17710535 0.78 PHGDH (0.48) PHGDHNOS2ALDH1A1HSD11B1KDM4E
SCHEMBL17710528 0.78 PHGDH (0.48) PHGDHNOS2ALDH1A1HSD11B1KDM4E
SCHEMBL1872603 0.78 PHGDH (0.48) PHGDHNOS2ALDH1A1HSD11B1KDM4E
SCHEMBL17710466 0.78 PHGDH (0.48) PHGDHNOS2ALDH1A1HSD11B1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115052853-B Process for preparing 1- [ 4-nitro-2- (trifluoromethyl) phenyl ] alkanone 巴斯夫农业公司 2024-10-25 CN claimed
WO-2023180786-A1 PLANT OIL-BASED POLYMER FOAM AND METHOD OF MANUFACTURE THEREOF LATVIJAS VALSTS KOKSNES ĶĪMIJAS INSTITŪTS (LV) 2023-09-28 WO claimed
EP-4103540-A1 PROCESS FOR THE PREPARATION OF 1-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]-ALKANONES BASF Agro B.V. (NL) 2022-12-21 EP claimed
CN-115052853-A Preparation method of 1- [ 4-nitro-2- (trifluoromethyl) phenyl ] alkanone 巴斯夫农业公司 2022-09-13 CN claimed
WO-2021160468-A1 PROCESS FOR THE PREPARATION OF 1-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]-ALKANONES BASF Agro B.V. (NL) 2021-08-19 WO claimed
CN-111690277-A Acetoacetyl thermosetting resins for zero VOC gel coats 波林复合材料美国股份有限公司 2020-09-22 CN claimed
US-20170292083-A1 TBN and Performance Booster AFTON CHEMICAL CORPORATION (US) 2017-10-12 US claimed
EP-2823000-A1 ACETOACETYL THERMOSETTING RESIN FOR ZERO VOC GEL COAT CCP COMPOSITES US LLC (US) 2015-01-14 EP claimed
CN-104204109-A Acetoacetyl thermosetting resins for zero VOC gel coats CCP COMPOSITES US 2014-12-10 CN claimed
WO-2013132077-A1 ACETOACETYL THERMOSETTING RESIN FOR ZERO VOC GEL COAT CCP COMPOSITES US (US) 2013-09-12 WO claimed
CN-101157668-A Substituted cinnamic acid nitrogen-containing derivative having tumor cytotoxic activity WENZHOU MEDICAL COLLEGE (CN) 2008-04-09 CN claimed
CN-1267410-C Process for preparing cyclohexanol derivatives WYETH CORP (US) 2006-08-02 CN claimed
CN-1531524-A Process for preparing cyclohexanol derivatives 2004-09-22 CN claimed
US-4347310-A INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-08-31 US claimed
CN-115052853-B Process for preparing 1- [ 4-nitro-2- (trifluoromethyl) phenyl ] alkanone 巴斯夫农业公司 2024-10-25 CN disclosed
WO-2023180786-A1 PLANT OIL-BASED POLYMER FOAM AND METHOD OF MANUFACTURE THEREOF LATVIJAS VALSTS KOKSNES ĶĪMIJAS INSTITŪTS (LV) 2023-09-28 WO disclosed
CN-115368824-A Fast curing migration-free compositions based on organic polymers containing silane groups SIKA技术股份公司 2022-11-22 CN disclosed
EP-0288240-A2 Heat-sensitive diazo recording material FUJI PHOTO FILM CO., LTD. (JP) 1988-10-26 EP disclosed
EP-0121082-A1 Guanidin derivatives BAYER AG (DE) 1984-10-10 EP disclosed
US-4347310-A INCREASED PHOTOSENZITIVITY USING GUANIDINE DERIVTIVES AS SENSITIZERS; PHOTOSTABILITY; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-08-31 US disclosed