SCHEMBL17646111

SCHEMBL17646111

C=C(C)C(=O)OCCNC(=O)N(CCO)CCNC(=N)N

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.33

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
SCHEMBL16322293 0.95 TSHR (0.39) TSHRTHRB
SCHEMBL16322551 0.89 TSHR (0.39) TSHRTHRB
SCHEMBL275291 0.88 THRB (0.41) TSHRTHRB
SCHEMBL28456926 0.83 THRB (0.46) TSHRTHRB
SCHEMBL23478291 0.82 THRB (0.49) TSHRTHRB
SCHEMBL16322492 0.81 TSHR (0.36) TSHRTHRB
Hydrochloric Acid SCHEMBL28502809 0.81 THRB (0.44) TSHRTHRB
SCHEMBL16323040 0.81 PTGES (0.38)
SCHEMBL16322292 0.81 TSHR (0.35) TSHRTHRB
SCHEMBL9324315 0.80 THRB (0.39) TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239828-B2 Process for preparing guanidino-functional monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-03-26 US disclosed
EP-3010883-B1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS 3M INNOVATIVE PROPERTIES CO (US) 2019-02-20 EP disclosed
US-20170183299-A1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2017-06-29 US disclosed
US-9670149-B2 Process for preparing guanidino-functional monomers 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-06-06 US disclosed
US-20160096802-A1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2016-04-07 US 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 (3 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-20160096802-A1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS GMPS, GUCY1B2, GUCY1A1 TSHR 4368/4885THRB 4332/4885
US-10239828-B2 Process for preparing guanidino-functional monomers GMPS, GUCY1B2, GUCY1A1 TSHR 4368/4885THRB 4332/4885
US-20170183299-A1 PROCESS FOR PREPARING GUANIDINO-FUNCTIONAL MONOMERS GMPS, GUCY1B2, GUCY1A1 TSHR 4368/4885THRB 4332/4885

“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.