SCHEMBL5145577

SCHEMBL5145577

C=CC(C)=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL14964 1.00
Charcoal, Activated SCHEMBL31376525 0.96
Hydrogen Peroxide SCHEMBL4373442 0.96 ALDH1A1 (0.92)
SCHEMBL30431867 0.96
Hydrogen Peroxide SCHEMBL4373439 0.96
SCHEMBL690194 0.96
Ammonia Solution, Strong SCHEMBL5683389 0.96
Ethylene SCHEMBL11021004 0.96
SCHEMBL15841374 0.96
Bromide SCHEMBL28706881 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6100411-A HIGH ACTIVITIES AGAINST DRUG-RESISTANT TUMORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-08-08 US claimed
WO-1997032578-A1 TAXOID ANTI-TUMOR AGENTS AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-09-12 WO claimed
EP-0788493-A1 TAXOID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-08-13 EP claimed
WO-1996013495-A1 TAXOID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-05-09 WO claimed
EP-3463270-A1 HAIR-CARE AGENT AND METHOD FOR OXIDATIVE HAIR DYING OR BLEACHING WITH SELECTED DICARBOXYLIC ACIDS Henkel AG & Co. KGaA (DE) 2019-04-10 EP disclosed
EP-3463271-A1 GENTLE AGENTS AND METHODS FOR OXIDATIVE DYEING USING SELECTED DICARBOXYLIC ACIDS Henkel AG & Co. KGaA (DE) 2019-04-10 EP disclosed
EP-3463272-A1 SELECTED DICARBOXYLIC ACIDS IN AGENTS THAT ARE GENTLE TO HAIR, AND METHOD FOR OXIDATIVE HAIR DYEING OR BLEACHING Henkel AG & Co. KGaA (DE) 2019-04-10 EP disclosed
EP-3405169-A1 PRODUCTS FOR PROTECTING KERATIN FIBRES AND METHOD FOR OXIDATIVE HAIR DYEING Henkel AG & Co. KGaA (DE) 2018-11-28 EP disclosed
EP-3389791-A1 OXIDANT FOR A LESS DAMAGING OXIDATIVE DYEING AND BLEACHING TREATMENT OF KERATIN FIBERS Henkel AG & Co. KGaA (DE) 2018-10-24 EP disclosed
EP-3377030-A1 HAIR-CARE AGENT AND METHOD FOR OXIDATIVE HAIR DYING OR BLEACHING Henkel AG & Co. KGaA (DE) 2018-09-26 EP disclosed
US-8921294-B2 Cleaning liquid Young, Ronald Alexander (Scot) (GB) 2014-12-30 US disclosed
US-20120172451-A1 CLEANING LIQUID YOUNG, RONALD ALEXANDER (SCOT) (GB) 2012-07-05 US disclosed
US-6500858-B2 FOR THERAPY OF CANCER THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK 2002-12-31 US disclosed
WO-2002078690-A2 TAXOID ANTI-TUMOR AGENTS AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2002-10-10 WO disclosed
US-6458976-B1 TAXANE ANTICARCINOGENIC AGENTS AND ANTITUMOR AGENTS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2002-10-01 US disclosed
US-20020022651-A1 Taxoid anti-tumor agents and pharmaceutical compositions thereof SYNPLICITY, INC. 2002-02-21 US disclosed
US-6100411-A HIGH ACTIVITIES AGAINST DRUG-RESISTANT TUMORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-08-08 US disclosed
WO-1997032578-A1 TAXOID ANTI-TUMOR AGENTS AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-09-12 WO disclosed
EP-0788493-A1 TAXOID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1997-08-13 EP disclosed
WO-1996013495-A1 TAXOID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1996-05-09 WO disclosed