SCHEMBL5268732

SCHEMBL5268732

CCCCC(C)(C)C(C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.36
GGPS1 O95749 6/20 0.36
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10925025 0.89 FDPS (0.46) FDPSGGPS1TSHR
SCHEMBL10760653 0.89 FDPS (0.46) FDPSGGPS1TSHR
SCHEMBL5799215 0.89 FDPS (0.46) FDPSGGPS1TSHR
SCHEMBL7113022 0.89 FDPS (0.46) FDPSGGPS1TSHR
SCHEMBL77149 0.89 FDPS (0.46) FDPSGGPS1TSHR
SCHEMBL4716292 0.89 FDPS (0.46) FDPSGGPS1TSHR
SCHEMBL20218 0.82 FDPS (0.36) FDPSGGPS1ALDH1A1ESR1ESR2
SCHEMBL10711064 0.82 FDPS (0.36) FDPSGGPS1ALDH1A1ESR1ESR2
SCHEMBL10486986 0.81 ALDH1A1 (0.39) FDPSALDH1A1LMNA
SCHEMBL10894040 0.80 FDPS (0.34) FDPSGGPS1ALDH1A1ESR1ESR2

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
CN-102741373-B Adhesives and sealants comprising esters based on 2-propylheptanol BASF SE (DE) 2015-10-07 CN disclosed
CN-102177210-B Curing agent for two-pack type polyurethane resin coating material, process for producing the same, and two-pack type polyurethane resin coating material NIPPON POLYURETHANE KOGYO KK 2013-12-04 CN disclosed
CN-102741373-A Adhesives and sealants comprising esters based on 2-propylheptanol BASF SE 2012-10-17 CN disclosed
US-20120225983-A1 ADHESIVES AND SEALANTS COMPRISING ESTERS BASED ON 2-PROPYLHEPTANOL BASF SE (DE) 2012-09-06 US disclosed
CN-102216363-A Polyisocyanate composition and two-pack type coating composition using the same NIPPON POLYURETHANE KOGYO KK 2011-10-12 CN disclosed
CN-102177210-A Curing agent for two-pack type polyurethane resin coating material, process for producing the same, and two-pack type polyurethane resin coating material NIPPON POLYURETHANE KOGYO KK 2011-09-07 CN disclosed
US-7291748-B2 C10/C7 ester mixtures based on 2-propylheptanol BASF CORPORATION (US) 2007-11-06 US disclosed
EP-1391440-B1 Chemical grout composition for stabilization when digging tunnels and construction method for increasing stability using same DAI ICHI KOGYO SEIYAKU CO LTD (JP) 2007-10-17 EP disclosed
US-20070027242-A1 C10/C7 ester mixtures based on 2-propylheptanol BASF CORPORATION 2007-02-01 US disclosed
EP-1391440-A1 Chemical grout composition for stabilization when digging tunnels and construction method for increasing stability using same DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2004-02-25 EP disclosed
US-4792540-A POLYMERIZATION CATALYST FORMED FROM ALKALI METAL ALCOHOLATE AND LACTAM WITH HIGHER ALCOHOL STAMICARBON B.V. (NL) 1988-12-20 US disclosed
EP-0238143-A1 Process for preparing an alkali metal lactamate STAMICARBON B.V. (NL) 1987-09-23 EP disclosed