SCHEMBL7914586

SCHEMBL7914586

NCCNCCNCc1ccccc1O

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.78
CA2 P00918 5/20 0.78
CA9 Q16790 4/20 0.72
TSHR P16473 2/20 0.72
KDM4E B2RXH2 1/20 0.72
HSD17B10 Q99714 1/20 0.72
MPO P05164 10/20 0.66
SLC6A4 P31645 2/20 0.66
CYP2D6 P10635 1/20 0.64
HIF1A Q16665 1/20 0.64
PKM P14618 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52

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
SCHEMBL12996038 1.00 CA12 (0.78) CA12CA2CA9TSHRKDM4E
SCHEMBL2549012 0.96 CA12 (0.78) CA12CA2CA9TSHRKDM4E
SCHEMBL29134037 0.94 CA12 (0.75) CA12CA2CA9TSHRKDM4E
Hydrochloric Acid SCHEMBL8945386 0.94 CA12 (0.75) CA12CA2CA9TSHRKDM4E
SCHEMBL18096448 0.91 CA12 (0.77) CA12CA2CA9TSHRKDM4E
SCHEMBL12996049 0.90 CA12 (0.95) CA12CA2CA9TSHRKDM4E
SCHEMBL9098622 0.89 CA12 (0.79) CA12CA2CA9TSHRKDM4E
SCHEMBL31532322 0.88 CA12 (1.00) CA12CA2CA9TSHRKDM4E
SCHEMBL2794849 0.88 CA12 (1.00) CA12CA2CA9TSHRKDM4E
Acetic Acid SCHEMBL2465801 0.86 CA12 (0.64) CA12CA2CA9TSHRKDM4E

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
US-10377962-B2 Lubricant compositions containing controlled release additives EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2019-08-13 US disclosed
EP-3492562-A1 FUEL COMPOSITIONS Innospec Limited (GB) 2019-06-05 EP disclosed
US-20170247629-A1 LUBRICANT COMPOSITIONS CONTAINING CONTROLLED RELEASE ADDITIVES EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2017-08-31 US disclosed
US-9157041-B2 Fuel compositions INNOSPEC LIMITED (GB) 2015-10-13 US disclosed
US-20100299992-A1 FUEL COMPOSITIONS INNOSPEC LIMITED (GB) 2010-12-02 US disclosed
US-20100299992-A1 FUEL COMPOSITIONS INNOSPEC LIMITED (GB) 2010-12-02 US disclosed
US-6288208-B1 POLYAMIDE DENDRIMERS; EPOXY HARDENERS EPOX, LTD. (IL) 2001-09-11 US disclosed
EP-0907379-A2 BIOACTIVATED DIAGNOSTIC IMAGING CONTRAST AGENTS Epix Medical, Inc. (US) 1999-04-14 EP disclosed
WO-1997036619-A2 BIOACTIVATED DIAGNOSTIC IMAGING CONTRAST AGENTS EPIX MEDICAL, INC. (US) 1997-10-09 WO disclosed