SCHEMBL8968502

SCHEMBL8968502

CCOC(=O)C[n+]1ccccc1.c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ERAP1 Q9NZ08 1/20 0.40
PTPN1 P18031 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
PIN1 Q13526 1/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
PPID Q08752 1/20 0.38

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
SCHEMBL4232151 0.85 KMT2A (0.47) GLAALDH1A1KMT2AMEN1ERAP1
Hydrochloric Acid SCHEMBL624259 0.84 KMT2A (0.46) GLAALDH1A1KMT2AMEN1SMN1; SMN2
Bromide SCHEMBL344154 0.84 KMT2A (0.50) GLAALDH1A1KMT2AMEN1KDM4E
Nitrobenzene SCHEMBL8971309 0.77 HPGD (0.48) GLAALDH1A1LMNAKMT2AKDM4E
SCHEMBL8971275 0.75 ALDH1A1 (0.45) ALDH1A1LMNAKMT2AMEN1KDM4E
SCHEMBL8968159 0.75 KDM4E (0.63) GLAALDH1A1LMNAKMT2AMEN1
Bromide SCHEMBL9243928 0.74 ALDH1A1 (0.47) GLAALDH1A1KMT2AMEN1KDM4E
SCHEMBL21150140 0.74 ALDH1A1 (0.47) GLAALDH1A1HSD17B10LMNAKMT2A
SCHEMBL8971260 0.73 KMT2A (0.46) ALDH1A1HSD17B10LMNANPSR1KMT2A
SCHEMBL9463840 0.73 HTT (0.44) ALDH1A1HSD17B10LMNANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548348-B1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK CO (US) 1996-03-20 EP claimed
US-5196538-A Electrography EASTMAN KODAK COMPANY (US) 1993-03-23 US claimed
WO-1993002053-A1 ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO claimed
US-5541032-A CHARGE STABILIZERS WHICH ARE INSENSITIVE TO MOISTURE, HEAT RESISTANT AND PRODUCE CRISP, UNIFORM VISIBLE IMAGES OF HIGH COLOR INTENSITY BASF AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
EP-0548348-B1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK CO (US) 1996-03-20 EP disclosed
EP-0548348-A1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS. EASTMAN KODAK CO (US) 1993-06-30 EP disclosed
US-5196538-A Electrography EASTMAN KODAK COMPANY (US) 1993-03-23 US disclosed
WO-1993002053-A1 ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed
WO-1993002397-A1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO disclosed