SCHEMBL6703089

SCHEMBL6703089

CN1C(C)(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(C)C(C)(C)C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
EPHX2 P34913 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAAA Q02083 2/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL29732938 0.97 NAAA (0.34) TSHRSMN1; SMN2NAAAMEN1GAA
SCHEMBL28480583 0.88 TSHR (0.49) TSHREPHX2SMN1; SMN2NAAAMEN1
SCHEMBL9466511 0.86 TSHR (0.34) TSHREPHX2MEN1KMT2A
SCHEMBL34980 0.86 TSHR (0.34) TSHREPHX2MEN1KMT2A
Ammonia Solution, Strong SCHEMBL10013113 0.85 TSHR (0.33) TSHREPHX2MEN1KMT2A
SCHEMBL28176628 0.85 NAAA (0.33) TSHRSMN1; SMN2NAAAMEN1GAA
SCHEMBL28068027 0.85 NAAA (0.33) TSHRSMN1; SMN2NAAAMEN1GAA
SCHEMBL846324 0.84 NAAA (0.43) TSHRSMN1; SMN2NAAAMEN1GAA
SCHEMBL17985334 0.82 NAAA (0.44) TSHREPHX2SMN1; SMN2NAAAMEN1
SCHEMBL223756 0.82 NAAA (0.44) TSHREPHX2SMN1; SMN2NAAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040191420-A1 Protective coatings for microporous sheets PPG INDUSTRIES OHIO, INC. 2004-09-30 US claimed
US-11999867-B2 Coating composition and coated substrate SIKA TECHNOLOGY AG (CH) 2024-06-04 US disclosed
US-20210246273-A1 Cellulose Nanofiber-Containing Aqueous Dispersion ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-08-12 US disclosed
US-20200377757-A1 COATING COMPOSITION AND COATED SUBSTRATE SIKA TECHNOLOGY AG (CH) 2020-12-03 US disclosed
US-10138606-B2 Expansion joint comprising a hybrid polyurea-polyurethane header composition CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2018-11-27 US disclosed
US-8987375-B2 Polyurethane formulation with high green strength and gunnability CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2015-03-24 US disclosed
US-20140241787-A1 EXPANSION JOINT COMPRISING A HYBRID POLYUREA-POLYURETHANE HEADER COMPOSITION SIKA TECHNOLOGY AG (CH) 2014-08-28 US disclosed
US-20120216952-A1 Polyurethane Formulation With High Green Strength and Gunnability SIKA TECHNOLOGY AG (CH) 2012-08-30 US disclosed
US-20040191420-A1 Protective coatings for microporous sheets PPG INDUSTRIES OHIO, INC. 2004-09-30 US disclosed