SCHEMBL249490

SCHEMBL249490

CCOCCCC(=O)OC(=O)CCCOCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TSHR P16473 3/20 0.43
DGKA P23743 1/20 0.40
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.38
EPHX2 P34913 1/20 0.36
NAAA Q02083 1/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CES2 O00748 1/20 0.34

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
SCHEMBL27291781 0.96 ALDH1A1 (0.46) ALDH1A1TSHRDGKACYP1A2SMN1; SMN2
SCHEMBL11552370 0.94 ALDH1A1 (0.62) ALDH1A1TSHRDGKACYP1A2SMN1; SMN2
SCHEMBL27298076 0.94 ALDH1A1 (0.50) ALDH1A1TSHRDGKANAAACES2
SCHEMBL27316978 0.92 DGKA (0.53) ALDH1A1TSHRDGKANAAACES2
SCHEMBL11616036 0.91 DGKA (0.47) ALDH1A1TSHRDGKAEPHX2NAAA
SCHEMBL27273693 0.89 ALDH1A1 (0.48) ALDH1A1TSHRDGKACYP1A2SMN1; SMN2
SCHEMBL27366967 0.88 ALDH1A1 (0.40) ALDH1A1TSHRDGKACYP1A2SMN1; SMN2
SCHEMBL27361449 0.86 TSHR (0.41) ALDH1A1TSHRDGKACYP1A2SMN1; SMN2
SCHEMBL27272993 0.86 SOAT1 (0.52) ALDH1A1TSHRDGKACYP1A2SMN1; SMN2
SCHEMBL8665802 0.85 ALDH1A1 (0.55) ALDH1A1TSHRDGKACYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3212686-A2 CURABLE POLYESTERS AND THERMOSETTING COMPOSITIONS CONTAINING RESOLE PHENOLIC RESINS Eastman Chemical Company (US) 2017-09-06 EP disclosed
WO-2016069567-A2 CURABLE POLYESTERS AND THERMOSETTING COMPOSITIONS CONTAINING RESOLE PHENOLIC RESINS EASTMAN CHEMICAL COMPANY (US) 2016-05-06 WO disclosed
EP-2588502-A1 POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION Akzo Nobel Chemicals International B.V. (NL) 2013-05-08 EP disclosed
WO-2012000916-A1 POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) 2012-01-05 WO disclosed
US-4167407-A 1-Thiadiazolyl-5-acylimidazolidinones VELSICOL CHEMICAL CORPORATION (US) 1979-09-11 US disclosed
US-4018787-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-04-19 US disclosed
US-4006009-A 1-Thiadiazolyl-6-acyloxytetrahydropyrimidinone herbicides VELSICOL CHEMICAL CORPORATION (US) 1977-02-01 US disclosed
US-4004912-A 1-Thiadiazolyl-6-acyloxytetrahydropyrimidinone herbicides VELSICOL CHEMICAL CORPORATION (US) 1977-01-25 US disclosed