SCHEMBL7913533

SCHEMBL7913533

N#CCNc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.55
CA4 P22748 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA3 P07451 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
ALDH1A1 P00352 5/20 0.53
TSHR P16473 3/20 0.53
HSD17B10 Q99714 3/20 0.53
RECQL P46063 1/20 0.53
HPGD P15428 5/20 0.50
KDM4E B2RXH2 5/20 0.50
MAPT P10636 3/20 0.50
GAA P10253 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL7250746 0.81 CA12 (0.61) CA12CA4CA7CA9CA14
SCHEMBL728548 0.81 MAPT (0.41) CA12CA9ALDH1A1TSHRHSD17B10
SCHEMBL28689505 0.81 CA12 (0.55) CA12CA4CA7CA9CA14
SCHEMBL7431848 0.81 CA12 (0.55) CA12CA4CA7CA9CA14
SCHEMBL8617702 0.79 NCEH1 (0.39) CA12CA4CA7CA9CA14
SCHEMBL29828333 0.78 CA12 (0.60) CA12CA4CA7CA9CA14
SCHEMBL27648630 0.78 CA12 (0.60) CA12CA4CA7CA9CA14
SCHEMBL60765 0.78 CA12 (0.60) CA12CA4CA7CA9CA14
SCHEMBL11283741 0.77 CA12 (0.77) CA12CA4CA7CA9CA14
Cyanate SCHEMBL27867296 0.77 KEAP1 (0.50) CA12CA4CA7CA9CA14

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-113219097-B Method for splitting and measuring carnitine enantiomer in infant formula milk powder 杭州海关技术中心 2022-06-24 CN claimed
CN-113219097-A Method for splitting and determining carnitine enantiomer in infant formula milk powder based on ultra-high performance synthetic phase chromatography 杭州海关技术中心 2021-08-06 CN claimed
CN-113219097-B Method for splitting and measuring carnitine enantiomer in infant formula milk powder 杭州海关技术中心 2022-06-24 CN disclosed
CN-113219097-A Method for splitting and determining carnitine enantiomer in infant formula milk powder based on ultra-high performance synthetic phase chromatography 杭州海关技术中心 2021-08-06 CN disclosed
EP-0872903-B1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder SHINETSU CHEMICAL CO (JP) 2001-10-04 EP disclosed
US-6277519-B1 QUENCHING AN ALLOY MELT; COMMINUTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-08-21 US disclosed
US-6096144-A TREATING WITH ACIDIC OR ALKALINE SOLUTION OF CONJUGATED UNSATURATED COMPOUND WITH AT LEAST 5 BONDS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2000-08-01 US disclosed
US-5858571-A TREATING A PULVERIZED HYDROGEN ABSORBING ALLOY WITH A SOLUTION COMPRISING A CONJUGATED UNSATURATED COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0872903-A1 Method for making hydrogen storage alloy powder and electrode comprising the alloy powder Shin-Etsu Chemical Co., Ltd. (JP) 1998-10-21 EP disclosed
EP-0172427-B1 PROCESS FOR PRODUCTION OF VINYL CHLORIDE POLYMER Shin-Etsu Chemical Co., Ltd. (JP) 1989-07-05 EP disclosed
US-4758639-A Process for production of vinyl polymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-19 US disclosed
US-4757124-A Suspension or emulsion polymerizing vinyl chloride monomer or mixture of vinyl chloride with vinyl monomer copolymerizable therewith in reactor with walls coated with antiscaling compound containing dye or pigments SHIN-ETSU CHEMICAL CO., LTD. (JP) 1988-07-12 US disclosed