SCHEMBL7642803

SCHEMBL7642803

CCCCOCC(=O)C(OCCCC)(OCCCC)C(=O)[O-].CCCCOCC(=O)C(OCCCC)(OCCCC)C(=O)[O-].CCCCOCC(=O)C(OCCCC)(OCCCC)C(=O)[O-].CCCCOCC(=O)C(OCCCC)(OCCCC)C(=O)[O-].[Ti+4]

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.49
ALDH1A1 P00352 1/20 0.37
TSHR P16473 2/20 0.34
EPHX2 P34913 1/20 0.33
FAAH O00519 4/20 0.32
ATM Q13315 1/20 0.32
PLA2G4B P0C869 2/20 0.31
CES1 P23141 3/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL4622979 0.86 CES2 (0.40) CES2
SCHEMBL2383658 0.83 CA1 (0.36) CES2ALDH1A1FAAHATMCES1
SCHEMBL28373334 0.83 CES2 (0.51) CES2ALDH1A1TSHREPHX2FAAH
SCHEMBL7112242 0.82 CES2 (0.47) CES2ALDH1A1TSHRFAAHATM
SCHEMBL29017482 0.80 CES2 (0.45) CES2ALDH1A1TSHR
SCHEMBL106135 0.79 CA1 (0.36) CES2ALDH1A1FAAHATMCES1
SCHEMBL107477 0.79 CA1 (0.36) CES2ALDH1A1FAAHATMCES1
SCHEMBL105786 0.79 CA1 (0.36) CES2ALDH1A1FAAHATMCES1
SCHEMBL7108185 0.78 CES2 (0.46) CES2ALDH1A1TSHRFAAHATM
SCHEMBL4534558 0.78 CES2 (0.46) CES2ALDH1A1TSHREPHX2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844283-B1 Curable resin composition and cured products JSR CORP (JP) 2002-10-09 EP disclosed
US-6313233-B1 CAN BE CURED AND FABRICATED WITHOUT PRODUCING NO CRACKS INTO A CURED PRODUCT SUCH AS A SEMICONDUCTOR DEVICE HAVING A LOW DIELECTRIC CONSTANT, HIGH HEAT RESISTANCE AND MOISTURE RESISTANCE, SUPERIOR ADHESION TO VARIOUS SUBSTRATE MATERIALS JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 2001-11-06 US disclosed
US-6011123-A ORGANOSILANE COMPOUND; POLYAMIC ACIDS HAVING A HYDROLYZABLE SILYL GROUP OR CARBOXYLIC ACID ANHYDRIDE GROUP, OR BOTH, AND POLYIMIDES HAVING A HYDROLYZABLE SILYL GROUP OR CARBOXYLIC ACID ANHYDRIDE GROUP, OR BOTH. JSR CORPORATION (JP) 2000-01-04 US disclosed
EP-0844283-A1 Curable resin composition and cured products JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-05-27 EP disclosed