SCHEMBL3752934

SCHEMBL3752934

CN1CCOCC1.F[B-](F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MGLL Q99685 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
TSHR P16473 3/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KEAP1 Q14145 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CYP2A13 Q16696 1/20 0.31
HPGD P15428 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
SCHEMBL12470747 1.00 CA12 (0.38) CA12CA7CA14MGLLSMN1; SMN2
SCHEMBL1690915 0.97 CA12 (0.36) CA12CA7CA14MGLLSMN1; SMN2
SCHEMBL15916854 0.90 PDK1 (0.33) CA12CA7CA14SMN1; SMN2TSHR
SCHEMBL8136165 0.87
SCHEMBL4622 0.87
Fluoride SCHEMBL28310400 0.87
SCHEMBL2123718 0.87 CA12 (0.45) CA12CA7CA14MGLLSMN1; SMN2
SCHEMBL1221354 0.87
SCHEMBL20614479 0.87 CA12 (0.45) CA12CA7CA14MGLLSMN1; SMN2
SCHEMBL10001930 0.87 CA12 (0.45) CA12CA7CA14MGLLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118943552-A Method for recycling waste lithium batteries through gradient oxidization of double electrodes 湖北汽车工业学院 2024-11-12 CN claimed
CN-114478671-B Amidinourea lead compound and synthesis method thereof 康龙化成(宁波)科技发展有限公司 2024-09-24 CN claimed
CN-114478671-A Guanyl urea lead compound and synthesis method thereof 康龙化成(宁波)科技发展有限公司 2022-05-13 CN claimed
CN-118943552-A Method for recycling waste lithium batteries through gradient oxidization of double electrodes 湖北汽车工业学院 2024-11-12 CN disclosed
CN-114478671-B Amidinourea lead compound and synthesis method thereof 康龙化成(宁波)科技发展有限公司 2024-09-24 CN disclosed
CN-114478671-A Guanyl urea lead compound and synthesis method thereof 康龙化成(宁波)科技发展有限公司 2022-05-13 CN disclosed
US-20100292469-A1 PROCESS FOR THE PREPARATION OF N-TRIAZINYLAMMONIUM SALTS ITALVELLUTI S.P.A. (IT) 2010-11-18 US disclosed
CN-101671316-A Ion liquid based on morpholine cations and preparation method thereof DINGZHOU RADI GLORY BIOCHEMICA 2010-03-17 CN disclosed
EP-1951691-A1 PROCESS FOR THE PREPARATION OF N-TRIAZINYLAMMONIUM SALTS Italvelluti S.p.A. (IT) 2008-08-06 EP disclosed
WO-2007051496-A1 PROCESS FOR THE PREPARATION OF N-TRIAZINYLAMMONIUM SALTS ITALVELLUTI S.P.A. (IT) 2007-05-10 WO disclosed