SCHEMBL3887243

SCHEMBL3887243

[LiH].[Li]C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
ALOX15 P16050 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
PTPN1 P18031 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KIF11 P52732 1/20 0.33

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
SCHEMBL296948 0.97 KCNN4 (0.47) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL28248250 0.90 KCNN4 (0.43) KCNN4ALDH1A1TSHRMAPK1CYP1A2
Bromide SCHEMBL10962749 0.90 KCNN4 (0.43) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL8982011 0.76 KCNN4 (0.47) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL19457729 0.71 KCNN4 (0.43) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL3082162 0.71 MAPK1 (0.50) KCNN4ALDH1A1TSHRMAPK1TAAR1
SCHEMBL17844155 0.71 MAPK1 (0.50) KCNN4ALDH1A1TSHRMAPK1TAAR1
SCHEMBL11824203 0.69 KCNN4 (0.47) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL50795 0.69 KCNN4 (0.41) KCNN4ALDH1A1TSHRMAPK1CYP1A2
SCHEMBL230628 0.67 KCNN4 (0.53) KCNN4ALDH1A1TSHRMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572303-B2 A symmetrical dialkyl carbonate, a metal, borong, silicon, or group 7 compound, a hydrogen or hydrocarbon-based fuel, an oxidizer, and a metallic cocatalyst; minimized hydrolysis; improved combustion and storage stability OCTANE INTERNATIONAL, LTD. (US) 2009-08-11 US disclosed
EP-0954558-B1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 2006-06-14 EP disclosed
WO-2005087901-A2 FUEL ADDITIVE COMPOSITION HAVING ANTIKNOCK PROPERTIES INNOSPEC LIMITED (GB) 2005-09-22 WO disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US disclosed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO disclosed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO disclosed