SCHEMBL4608580

SCHEMBL4608580

C=C(CCC)C(=O)O.CN(C)Cc1ccccc1.CN(C)Cc1ccccc1.COS(=O)(=O)O

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.36
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.38
POLB P06746 2/20 0.37
ESR1 P03372 1/20 0.37
NR4A1 P22736 1/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL4608833 0.90 ALDH1A1 (0.46) ALDH1A1TSHRNPC1RAB9APOLB
SCHEMBL1476594 0.89 ALDH1A1 (0.55) ALDH1A1TSHRNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL1237206 0.88 ALDH1A1 (0.53) ALDH1A1TSHRNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL2379881 0.88 ALDH1A1 (0.53) ALDH1A1TSHRNPC1RAB9AKMT2A
Phosphoric Acid SCHEMBL10436083 0.84 ALDH1A1 (0.49) ALDH1A1TSHRNPC1RAB9AKMT2A
SCHEMBL7757234 0.83 TSHR (0.63) ALDH1A1TSHRNPC1RAB9AKMT2A
Trimethylammonium SCHEMBL1345929 0.82 FFAR3 (0.32) ALDH1A1
Trimethylammonium SCHEMBL69320 0.82 FFAR3 (0.32) ALDH1A1
SCHEMBL4846053 0.80 FFAR3 (0.36) ALDH1A1TSHRCA12CA9
Ammonia Solution, Strong SCHEMBL7054400 0.79 FFAR3 (0.34) ALDH1A1CA12CA9

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
EP-1288013-B1 Print media products, methods for making the same and coating formulations HEWLETT PACKARD CO (US) 2008-07-30 EP disclosed
EP-1361072-B1 Print media products for generating high quality images and methods for making the same HEWLETT PACKARD CO (US) 2007-01-24 EP disclosed
US-7112629-B2 Print media products for generating high quality images and methods for making the same HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2006-09-26 US disclosed
US-20050176855-A1 Print media products for generating high quality images and methods for making the same NIU BOR-JIUNN (US) 2005-08-11 US disclosed
US-6869647-B2 Print media products for generating high quality, water-fast images and methods for making the same HEWLETT-PACKARD DEVELOPMENT COMPANY L.P. (US) 2005-03-22 US disclosed
US-6844035-B2 Print media products for generating high quality images and methods for making the same HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2005-01-18 US disclosed
US-20040161555-A1 Print media products for generating high quality images and methods for making the same NIU BOR-JIUNN (US) 2004-08-19 US disclosed
US-6689433-B2 THREE BINDERS: GELATIN, A POLY(VINYL ALCOHOL-ETHYLENE OXIDE) COPOLYMER, AND A POLY((STYRENE)-(N-BUTYL ACRYLATE)-(METHYL METHACRYLATE)-(2-(TERT-BUTYLAMINO) ETHYL METHACRYLATE)) COPOLYMER HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2004-02-10 US disclosed
EP-1361072-A2 Print media products for generating high quality images and methods for making the same Hewlett-Packard Company (US) 2003-11-12 EP disclosed
US-20030207052-A1 PRINT MEDIA PRODUCTS FOR GENERATING HIGH QUALITY IMAGES AND METHODS FOR MAKING THE SAME HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2003-11-06 US disclosed
US-20030049417-A1 Print media products for generating high quality, water-fast images and methods for making the same HEWLETT-PACKARD DEVELOPMENT COMPANY L.P. 2003-03-13 US disclosed
EP-1288013-A2 Print media products for generating high quality, water-fast images and methods for making the same Hewlett-Packard Company (US) 2003-03-05 EP disclosed