SCHEMBL344580

SCHEMBL344580

O=C([O-])C(O)(Cl)CO.O=C([O-])C(O)(Cl)CO.O=C([O-])C(O)(Cl)CO.[Al+3].[NaH]

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA4 P22748 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
SCHEMBL932763 0.97 CA4 (0.35) CA4
SCHEMBL160232 0.95 CA4 (0.39) CA4
SCHEMBL5354730 0.92
SCHEMBL557277 0.70 ALDH1A1 (0.40)
SCHEMBL1495773 0.69
SCHEMBL29670042 0.68
Trichloroacetic Acid SCHEMBL465138 0.66 ALDH1A1 (0.47) CA4
SCHEMBL5184708 0.65
Zinc Ion SCHEMBL11865244 0.63 CA4 (0.39) CA4
SCHEMBL11855619 0.63 CA4 (0.39) CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9408787-B2 Cosmetic aerosol spray HENKEL AG & CO. KGAA (DE) 2016-08-09 US disclosed
US-8969390-B2 Composition containing sorbitan monocaprylate and antimicrobial substances CLARIANT FINANCE (BVI) LIMITED (VG) 2015-03-03 US disclosed
US-8828367-B2 Water-free antiperspirant non-aerosols in which active substances are more readily released HENKEL AG & CO. KGAA (DE) 2014-09-09 US disclosed
US-8603445-B2 Water-free antiperspirant sprays in which active substances are more readily released HENKEL AG & CO. KGAA (DE) 2013-12-10 US disclosed
US-20130164238-A1 COSMETIC AEROSOL SPRAY HENKEL AG & CO. KGAA (DE) 2013-06-27 US disclosed
US-8354096-B2 Water-free antiperspirant sprays with improved substance HENKEL AG & CO. KGAA (DE) 2013-01-15 US disclosed
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2012-07-12 US disclosed
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED HENKEL AG & CO. KGAA (DE) 2012-07-05 US disclosed
US-20120101135-A1 COMPOSITION CONTAINING SORBITAN MONOCAPRYLATE AND ANTIMICROBIAL SUBSTANCES CLARIANT FINANCE (BVI) LIMITED (VG) 2012-04-26 US disclosed
US-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS HENKEL AG & CO. KGAA (DE) 2012-01-26 US disclosed
US-20120014897-A1 WATER-FREE ANTIPERSPIRANT SPRAYS WITH IMPROVED SUBSTANCE RELEASE HENKEL AG & CO. KGAA (DE) 2012-01-19 US disclosed
US-20100260698-A1 Anhydrous Antiperspirant Compositions with Improved Active Substance Release HENKEL AG & CO. KGAA (DE) 2010-10-14 US disclosed
US-20100143278-A1 Low-residue deodorant or antiperspirant stick based on an oil-in-water emulsion BANOWSKI BERNHARD 2010-06-10 US disclosed
US-20090220444-A1 Antiperspirant and Deodorant Compositions with Improved Protective Action HENKEL AG & CO. KGAA (DE) 2009-09-03 US disclosed
US-20060182708-A1 Prebiotically active plant extracts HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-08-17 US disclosed
US-20060029624-A1 Low-residue deodorant or antiperspirant stick based on an oil-in-water dispersion HENKEL AG & CO. KGAA (DE) 2006-02-09 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 (6 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-20060182708-A1 Prebiotically active plant extracts CUTA, COLGALT1, MANBA CA4 2542/4885
US-20120020906-A1 ANTIPERSPIRANT SPRAYS WITH ESTER OILS CUTA, NAPEPLD, LIPE CA4 4579/4885
US-20120177589-A1 WATER-FREE ANTIPERSPIRANT NON-AEROSOLS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED SIGMAR1, POLR1C, CUTA CA4 4359/4885
US-20100260698-A1 Anhydrous Antiperspirant Compositions with Improved Active Substance Release CUTA, CYP2W1, IDUA CA4 3206/4885
US-20120014897-A1 WATER-FREE ANTIPERSPIRANT SPRAYS WITH IMPROVED SUBSTANCE RELEASE POLR1C, CTRL, CUTA CA4 3916/4885
US-20120171143-A1 WATER-FREE ANTIPERSPIRANT SPRAYS IN WHICH ACTIVE SUBSTANCES ARE MORE READILY RELEASED POLR1C, CUTA, PHOSPHO1 CA4 4225/4885

“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.