SCHEMBL14246770

SCHEMBL14246770

O=C(CCCCCO)OC(=O)CCCCC(=O)OC(=O)CCCCCO

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.55
FFAR1 O14842 1/20 0.55
FFAR4 Q5NUL3 1/20 0.55
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
DGKA P23743 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 4/20 0.37
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
PAM P19021 2/20 0.35
DUSP3 P51452 1/20 0.35

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
SCHEMBL11617141 1.00 GPR84 (0.55) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL8764754 1.00 GPR84 (0.55) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL20704565 1.00 GPR84 (0.55) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL4543277 0.93 GPR84 (0.48) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL9722912 0.91 KDM4E (0.48) GPR84FFAR1FFAR4KDM4ESMN1; SMN2
SCHEMBL19668390 0.91 GPR84 (0.73) GPR84FFAR1FFAR4ALDH1A1FNTA
SCHEMBL9722925 0.89 DGKA (0.57) KDM4ESMN1; SMN2ALDH1A1DGKAMAPT
SCHEMBL29124940 0.89 DGKA (0.57) KDM4ESMN1; SMN2ALDH1A1DGKAMAPT
SCHEMBL28649860 0.89 GPR84 (0.62) GPR84FFAR1FFAR4ALDH1A1FNTA
SCHEMBL665784 0.89 DGKA (0.57) KDM4ESMN1; SMN2ALDH1A1DGKAMAPT

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-2718340-B1 ALIPHATIC POLYESTER POLYOLS FROM CYCLOHEXANE OXIDATION BYPRODUCT STREAMS AS PRECURSORS FOR POLYURETHANE AND POLYISOCYANURATE POLYMERS INVISTA TECHNOLOGIES SARL (CH) 2017-08-09 EP disclosed
US-20150274922-A1 MATERIALS COMPRISING NVR POLYOLS INVISTA NORTH AMERICA S.A.R.L. (US) 2015-10-01 US disclosed
US-9056940-B2 Aliphatic polyester polyols from cyclohexane oxidation byproduct streams as precursors for polyurethane and polyisocyanurate polymers INVISTA NORTH AMERICA S.A R. L. (US) 2015-06-16 US disclosed
EP-2718340-A1 ALIPHATIC POLYESTER POLYOLS FROM CYCLOHEXANE OXIDATION BYPRODUCT STREAMS AS PRECURSORS FOR POLYURETHANE AND POLYISOCYANURATE POLYMERS Invista Technologies S.à.r.l. (CH) 2014-04-16 EP disclosed
WO-2014047043-A1 MATERIALS COMPRISING NVR POLYOLS INVISTA NORTH AMERICA S.A R.L. (US) 2014-03-27 WO disclosed
US-20130042659-A1 ALIPHATIC POLYESTER POLYOLS FROM CYCLOHEXANE OXIDATION BYPRODUCT STREAMS AS PRECURSORS FOR POLYURETHANE AND POLYISOCYANURATE POLYMERS INVISTA NORTH AMERICA S.A R.L (US) 2013-02-21 US disclosed
WO-2012173938-A1 ALIPHATIC POLYESTER POLYOLS FROM CYCLOHEXANE OXIDATION BYPRODUCT STREAMS AS PRECURSORS FOR POLYURETHANE AND POLYISOCYANURATE POLYMERS INVISTA TECHNOLOGIES S.A.R.L. (CH) 2012-12-20 WO disclosed