SCHEMBL97696

SCHEMBL97696

C=C(C)C(=O)OCCCCC(F)(F)C(F)(F)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
THRB P10828 1/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL28068158 0.97 TSHR (0.50) TSHRTHRBPOLBAPEX1HTT
SCHEMBL97562 0.95 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL97702 0.89 THRB (0.42) TSHRTHRBPOLBAPEX1HTT
SCHEMBL14299632 0.89 TSHR (0.40) TSHRTHRBPOLBAPEX1HTT
SCHEMBL2742248 0.87 THRB (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL16205151 0.86 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL97796 0.85 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL12590214 0.84 ALDH1A1 (0.41) TSHRALDH1A1
SCHEMBL19296108 0.84 THRB (0.41) TSHRTHRBPOLBAPEX1HTT
SCHEMBL18499633 0.84 THRB (0.49) TSHRTHRBPOLBAPEX1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8877960-B2 Fluoroalkanesulfonic acid ammonium salts and method for producing same CENTRAL GLASS COMPANY, LIMITED (JP) 2014-11-04 US disclosed
US-8470513-B2 Radiation-sensitive resin composition and polymer JSR CORPORATION (JP) 2013-06-25 US disclosed
US-20120058429-A1 RADIATION-SENSITIVE RESIN COMPOSITION AND POLYMER JSR CORPORATION (JP) 2012-03-08 US disclosed
US-20110313190-A1 Fluoroalkanesulfonic Acid Ammonium Salts and Method for Producing Same CENTRAL GLASS COMPANY, LIMITED (JP) 2011-12-22 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 (1 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-20110313190-A1 Fluoroalkanesulfonic Acid Ammonium Salts and Method for Producing Same PFAS, ARSA, NOTUM TSHR 3546/4885THRB 4382/4885POLB 644/4885

“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.