SCHEMBL725980

SCHEMBL725980

C=CC[N+](C)(C(C)O)C(C)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.32
BBOX1 O75936 1/20 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
Hydrochloric Acid SCHEMBL3810774 0.97 ACHE (0.31) ACHEBBOX1
SCHEMBL87577 0.79
Hydrochloric Acid SCHEMBL131480 0.77 ACHE (0.31) ACHEBBOX1
Hydrochloric Acid SCHEMBL900025 0.77 ACHE (0.31) ACHEBBOX1
Water SCHEMBL11060381 0.77 ACHE (0.31) ACHEBBOX1
Bromide SCHEMBL9778239 0.77 ACHE (0.34) ACHEBBOX1
SCHEMBL19253877 0.76
SCHEMBL3800726 0.76
SCHEMBL9231885 0.76
Sulfuric Acid SCHEMBL28763763 0.75 BBOX1 (0.30) BBOX1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635665-A1 A METHOD TO IMPROVE SKIN AND HAIR FRAGRANCE RETENTION FROM PERSONAL CARE COMPOSITIONS Elementis Specialties, Inc. (US) 2013-09-11 EP claimed
WO-2012061388-A1 A METHOD TO IMPROVE SKIN AND HAIR FRAGRANCE RETENTION FROM PERSONAL CARE COMPOSITIONS ELEMENTIS SPECIALTIES, INC. (US) 2012-05-10 WO claimed
US-20120107259-A1 METHOD TO IMPROVE SKIN AND HAIR FRAGRANCE RETENTION FROM PERSONAL CARE COMPOSITIONS ELEMENTIS SPECIALTIES, INC. (US) 2012-05-03 US claimed
EP-0095205-B1 FATTY ACID CONTAINING DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1986-10-15 EP claimed
US-4561998-A CONTAINING ANIONIC SURFACTANT, COSURFACTANT AND FATTY ACID THE PROCTER & GAMBLE COMPANY (US) 1985-12-31 US claimed
EP-0095205-A1 Fatty acid containing detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1983-11-30 EP claimed
US-11142729-B2 Detergents for cold-water cleaning STEPAN COMPANY (US) 2021-10-12 US disclosed
US-10570352-B2 Cold-water laundry detergents STEPAN COMPANY (US) 2020-02-25 US disclosed
US-10421930-B2 Detergents for cold-water cleaning STEPHAN COMPANY (US) 2019-09-24 US disclosed
US-20170369816-A1 COLD-WATER LAUNDRY DETERGENTS STEPAN CO (US) 2017-12-28 US disclosed
EP-3242925-A2 COLD-WATER LAUNDRY DETERGENTS Stepan Company (US) 2017-11-15 EP disclosed
WO-2017100051-A2 COLD-WATER CLEANING COMPOSITIONS AND METHODS STEPAN COMAPNY (US) 2017-06-15 WO disclosed
EP-3152286-A2 DETERGENTS FOR COLD-WATER CLEANING Stepan Company (US) 2017-04-12 EP disclosed
EP-2258679-A2 Sulfonated estolides and other derivatives of fatty acids, methods of making them, and compositions and processes employing them STEPAN COMPANY (US) 2010-12-08 EP disclosed
EP-2247574-A2 SULFONATED ESTOLIDES AND OTHER DERIVATIVES OF FATTY ACIDS, METHODS OF MAKING THEM, AND COMPOSITIONS AND PROCESSES EMPLOYING THEM STEPAN COMPANY (US) 2010-11-10 EP disclosed
WO-2010085247-A1 SULFONATED ESTOLIDES AND OTHER DERIVATIVES OF FATTY ACIDS AND USES THEREOF STEPAN COMPANY (US) 2010-07-29 WO disclosed
WO-2009094336-A2 SULFONATED ESTOLIDES AND OTHER DERIVATIVES OF FATTY ACIDS, METHODS OF MAKING THEM, AND COMPOSITIONS AND PROCESSES EMPLOYING THEM STEPAN COMPANY (US) 2009-07-30 WO disclosed
WO-1995006097-A1 FABRIC TREATMENT COMPOSITION SASOL CHEMICAL INDUSTRIES (PROPRIETARY) LIMITED (ZA) 1995-03-02 WO disclosed
US-5152921-A Nonspotting storage stability nondepositing CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4594184-A Surfactant mixture, detergent builder and aqueous solvent THE PROCTER & GAMBLE COMPANY (US) 1986-06-10 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-20120107259-A1 METHOD TO IMPROVE SKIN AND HAIR FRAGRANCE RETENTION FROM PERSONAL CARE COMPOSITIONS KRT18, CUTA, KPNA1 ACHE 1930/4885BBOX1 3768/4885

“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.