SCHEMBL3887127

SCHEMBL3887127

CCCCB(CCCC)CCCC.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.50
TSHR P16473 6/20 0.43
LMNA P02545 3/20 0.43
THRB P10828 1/20 0.40
ALDH1A1 P00352 4/20 0.33
PCSK9 Q8NBP7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC22A1 O15245 2/20 0.32
SLC22A2 O15244 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 4/20 0.30
HSD17B10 Q99714 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10899969 0.96 ANPEP (0.53) ANPEPTSHRLMNATHRBALDH1A1
SCHEMBL1237 0.96 ANPEP (0.53) ANPEPTSHRLMNATHRBALDH1A1
SCHEMBL952691 0.92 ANPEP (0.50) ANPEPTSHRLMNATHRBALDH1A1
SCHEMBL51210 0.92 ANPEP (0.50) ANPEPTSHRLMNATHRBALDH1A1
Ammonia Solution, Strong SCHEMBL28825800 0.92 ANPEP (0.50) ANPEPTSHRLMNATHRBALDH1A1
SCHEMBL9814415 0.92 ANPEP (0.50) ANPEPTSHRLMNATHRBALDH1A1
SCHEMBL9258682 0.89 TSHR (0.47) ANPEPTSHRLMNATHRBALDH1A1
Potassium Ion SCHEMBL22426233 0.89 ANPEP (0.47) ANPEPTSHRLMNATHRBALDH1A1
Lithium Ion SCHEMBL22426275 0.89 ANPEP (0.47) ANPEPTSHRLMNATHRBALDH1A1
SCHEMBL11524980 0.85 TSHR (0.50) ANPEPTSHRLMNATHRBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115836041-B Process for producing optically active compound 住友化学株式会社 2024-09-17 CN disclosed
CN-115836041-A Process for producing optically active compound 住友化学株式会社 2023-03-21 CN disclosed
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
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US disclosed
US-6652608-B1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2003-11-25 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