SCHEMBL617062

SCHEMBL617062

CCC(C)C#CC#CC(C)CC(O)O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL7535618 0.90 TSHR (0.38) TSHR
SCHEMBL4595567 0.82 TSHR (0.33) TSHR
SCHEMBL8197758 0.69 TSHR (0.38) TSHR
SCHEMBL28176101 0.68
SCHEMBL28814076 0.64
SCHEMBL15283726 0.62 TSHR (0.39) TSHR
SCHEMBL37152 0.62
SCHEMBL11424135 0.62
SCHEMBL8384135 0.62
SCHEMBL8527750 0.62 TSHR (0.40) TSHR

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
US-10093633-B2 Functionalized 4- and 5-vinyl substituted regioisomers of 1, 2, 3-triazoles via 1, 3-dipolar cycloaddition and polymers thereof ISP INVESTMENTS LLC (US) 2018-10-09 US disclosed
EP-2405757-B1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC (US) 2017-11-08 EP disclosed
US-20160083356-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2016-03-24 US disclosed
US-8993698-B2 4- and 5 substituted 1,2,3-triazole moieties with at least one remote polymerizable moiety and polymers thereof ISP INVESTMENTS INC. (US) 2015-03-31 US disclosed
US-20120142846-A1 4- AND 5 SUBSTITUTED 1,2,3-TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF AVOCA LLC 2012-06-07 US disclosed
US-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2012-02-16 US disclosed
EP-2405757-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF Isp Investments Inc. (US) 2012-01-18 EP disclosed
WO-2010104837-A1 FUNCTIONALIZED 4-AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2010-09-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ADH5, ADH1A, ADH1C TSHR 508/4885
US-10093633-B2 Functionalized 4- and 5-vinyl substituted regioisomers of 1, 2, 3-triazoles via 1, 3-dipolar cycloaddition and polymers thereof ADH5, ADH1A, ADH1C TSHR 508/4885
US-20120142846-A1 4- AND 5 SUBSTITUTED 1,2,3-TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF H1-4, NPY4R, RXFP4 TSHR 301/4885
US-20160083356-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ADH5, ADH1A, ADH1C TSHR 508/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.