SCHEMBL8971406

SCHEMBL8971406

COC(=O)CC[n+]1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSP90AA1 P07900 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
SCHEMBL11242321 0.83 ALDH1A1 (0.48) TSHRALDH1A1LMNAKMT2AMAPT
Nitrobenzene SCHEMBL9543156 0.82 KMT2A (0.49) ALDH1A1LMNAKMT2AMAPTKDM4E
SCHEMBL12534300 0.78 KMT2A (0.50) TSHRALDH1A1KMT2AHTTACHE
Hydrochloric Acid SCHEMBL5848674 0.77 HSP90AA1 (0.50) ALDH1A1KMT2AMAPTHTTACHE
Bromide SCHEMBL9080240 0.77 KMT2A (0.53) TSHRALDH1A1KMT2AHTTACHE
SCHEMBL9579601 0.75 LMNA (0.40) LMNAKMT2AMAPTBCHEACHE
SCHEMBL314127 0.75 BCHE (0.48) BCHEACHE
SCHEMBL14375710 0.74 ALDH1A1 (0.49) TSHRALDH1A1LMNAKMT2AMAPT
Hydrochloric Acid SCHEMBL5315062 0.73 BCHE (0.46) BCHEACHE
SCHEMBL9579398 0.72 FAAH (0.42) TSHRLMNAKMT2AMAPTHTT

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 6 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
EP-0548348-A1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS. EASTMAN KODAK CO (US) 1993-06-30 EP claimed
WO-1993002397-A1 TONERS AND DEVELOPERS CONTAINING ESTER-CONTAINING QUATERNARY PYRIDINIUM SALTS AS CHARGE CONTROL AGENTS EASTMAN KODAK COMPANY (US) 1993-02-04 WO claimed
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
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