SCHEMBL5109130

SCHEMBL5109130

C=C(C)C(=O)OC(C)OS(=O)(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 3/20 0.37

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
Trimethylammonium SCHEMBL2791440 0.95 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL5906415 0.90 TSHR (0.41) ALDH1A1TSHR
SCHEMBL167768 0.81 TSHR (0.39) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL145161 0.79 TSHR (0.38) ALDH1A1TSHR
Dimethylamine SCHEMBL545451 0.78 TSHR (0.36) ALDH1A1TSHR
SCHEMBL8670336 0.78 TSHR (0.37) ALDH1A1TSHR
SCHEMBL538063 0.77 TSHR (0.50) ALDH1A1TSHR
Methylamine SCHEMBL28774217 0.77 TSHR (0.35) TSHR
Trimethylammonium SCHEMBL662899 0.76 TSHR (0.36) ALDH1A1TSHR
SCHEMBL137981 0.76 ALDH1A1 (0.50) ALDH1A1TSHR

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-7405188-B2 Polymeric gel system and compositions for treating keratin substrates containing same WSP CHEMICALS & TECHNOLOGY, LLC (US) 2008-07-29 US disclosed
US-20050074417-A1 Polymeric gel system and compositions for treating keratin substrates containing same WSP CHEMICALS & TECHNOLOGY, LLC (US) 2005-04-07 US disclosed
EP-1115370-B1 CONDITIONING SHAMPOO COMPOSITIONS CALGON CORP (US) 2002-10-30 EP disclosed
EP-1140004-A1 SYNERGISTIC COMBINATION OF CATIONIC AND AMPHOLYTIC POLYMERS FOR CLEANSING AND/OR CONDITIONING KERATIN BASED SUBSTRATES Calgon Corporation (US) 2001-10-10 EP disclosed
EP-1115370-A2 CONDITIONING SHAMPOO COMPOSITIONS NALCO CHEMICAL COMPANY (US) 2001-07-18 EP disclosed
US-6180576-B1 CATIONIC, AMPHOLYTIC POLYMER AND NONIONIC SILICONE; ECOLAB USA INC. 2001-01-30 US disclosed
WO-2000057847-A2 CONDITIONING SHAMPOO COMPOSITIONS NALCO CHEMICAL COMPANY (US) 2000-10-05 WO disclosed
US-6110451-A CONDITIONER MIXTURES WITH CARRIERS CALGON CORPORATION (US) 2000-08-29 US disclosed
WO-2000037041-A1 SYNERGISTIC COMBINATION OF CATIONIC AND AMPHOLYTIC POLYMERS FOR CLEANSING AND/OR CONDITIONING KERATIN BASED SUBSTRATES CALGON CORPORATION (US) 2000-06-29 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 (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-20050074417-A1 Polymeric gel system and compositions for treating keratin substrates containing same KRT18, CUTA, S100A10 ALDH1A1 2189/4885TSHR 4005/4885

“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.