SCHEMBL3689402

SCHEMBL3689402

OCC=CC(O)C(O)CCCO

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 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
SCHEMBL7533938 0.93 FPR2 (0.33) FPR2NFKB1NFKB2RELA
SCHEMBL18153861 0.75 LMNA (0.45)
SCHEMBL18153858 0.75 LMNA (0.45)
SCHEMBL11567483 0.74 MEN1 (0.31)
SCHEMBL8752242 0.73 PTPN1 (0.31)
SCHEMBL6439016 0.73 PTPN1 (0.31)
SCHEMBL17984934 0.71 MPI (0.39)
SCHEMBL29083300 0.71 TRPV1 (0.33) FPR2NFKB1NFKB2RELA
SCHEMBL28159894 0.71 FPR2 (0.36) FPR2NFKB1NFKB2RELA
SCHEMBL1687120 0.71 THRB (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395432-A2 Novel polyether containing at least one 2-halomethyloxyethylene unit and 2,3-dihydroxypropyl end groups HOECHST CELANESE CORPORATION (US) 1990-10-31 EP claimed
US-4929769-A Novel polyether containing at least one 2-halomethyloxyethylene unit and 2,3-dihydroxypropyl end groups HOECHST CELANESE CORPORATION (US) 1990-05-29 US claimed
WO-2010044092-A1 PROCESS FOR SELECTIVE HYDROGENATION OF ALKYNES TO ALKENES OVER SINGLE METAL SUPPORTED CATALYSTS WITH HIGH ACTIVITY HINDUSTAN ORGANIC CHEMICALS LIMITED (IN) 2010-04-22 WO disclosed
EP-0252425-B1 LOW MELTING URETHANE LINKED TOLUENEDIISOCYANATES AIR PRODUCTS AND CHEMICALS, INC. (US) 1992-10-07 EP disclosed
EP-0252425-A2 Low melting urethane linked toluenediisocyanates AIR PRODUCTS AND CHEMICALS, INC. (US) 1988-01-13 EP disclosed
US-4711948-A MOLDING MATERIALS; AIRCRAFT GENERAL ELECTRIC COMPANY (US) 1987-12-08 US disclosed
US-4683279-A REACTION WITH DIOL AIR PRODUCTS AND CHEMICALS, INC. (US) 1987-07-28 US disclosed