SCHEMBL6906065

SCHEMBL6906065

CCCCCCCCCCCCn1sccc1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
G6PD P11413 2/20 1.00
HPGD P15428 2/20 1.00
ALOX15 P16050 2/20 1.00
HSD17B10 Q99714 2/20 1.00
TP53 P04637 1/20 1.00
HSP90AA1 P07900 1/20 1.00
CYP3A4 P08684 1/20 1.00
TSHR P16473 1/20 1.00
HIF1A Q16665 1/20 1.00
KAT2B Q92831 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MGLL Q99685 4/20 0.47
FAAH O00519 3/20 0.47
PTGS1 P23219 3/20 0.44
PTGS2 P35354 3/20 0.44
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7929634 1.00 ALDH1A1 (1.00) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL7926713 1.00 ALDH1A1 (1.00) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL8352210 1.00 ALDH1A1 (1.00) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL15648 1.00 ALDH1A1 (1.00) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL9319735 1.00 ALDH1A1 (1.00) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL11192371 1.00 ALDH1A1 (1.00) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL8594779 1.00 ALDH1A1 (1.00) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL7927915 1.00 ALDH1A1 (1.00) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL8594870 1.00 ALDH1A1 (1.00) ALDH1A1G6PDHPGDALOX15HSD17B10
Hydrochloric Acid SCHEMBL9129130 0.98 ALDH1A1 (0.96) ALDH1A1G6PDHPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110665355-A Deodorant composition containing woody plant essential oil and preparation method thereof 苏州市易柯露环保科技有限公司 2020-01-10 CN claimed
US-4900736-A Salts of alkyl-2-benzimidazole-carbamate and fungicidal compositions thereof suitable for paints and plaster SCHULKE MAYR, GMBH (DE) 1990-02-13 US claimed
CN-110665355-A Deodorant composition containing woody plant essential oil and preparation method thereof 苏州市易柯露环保科技有限公司 2020-01-10 CN disclosed
WO-2004049800-A1 MAGNETIC MICROBICIDES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-17 WO disclosed
US-6228382-B1 ALKYLISOTHIAZOLIN-3-ONE WITH OCTANOL/WATER ETC C.V. (BM) 2001-05-08 US disclosed
EP-0944317-A1 MICROBICIDAL MIXTURES RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
WO-1998025464-A1 MICROBICIDAL MIXTURES RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed
EP-0816349-A1 NOVEL CLATHRATE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND COATING COMPOSITION CONTAINING SAID NOVEL CLATHRATE COMPOUND ROHM AND HAAS COMPANY (US) 1998-01-07 EP disclosed
EP-0383005-B1 Preservative for systems or products with an aqueous phase SCHUELKE & MAYR GMBH (DE) 1995-04-19 EP disclosed
EP-0331319-B1 Method for the formation of images KONISHIROKU PHOTO IND (JP) 1994-01-26 EP disclosed
US-5147884-A Microbiocide mixture containing tert-butyl hydroperoxide, a monophenylglycol ether and a diluent; discoloration inhibition, controlling consistency and preventing odor STERLING DRUG INC. (US) 1992-09-15 US disclosed
US-4322475-A BACTERICIDES, FUNGICIDES, ALGICIDES ROHM AND HAAS COMPANY (US) 1982-03-30 US disclosed
US-4279762-A Cutting oils containing 3-isothiazolones as biocides ROHM AND HAAS COMPANY (US) 1981-07-21 US disclosed
US-4265899-A FUNGICIDES, BACTERICIDES ROHM AND HAAS COMPANY (US) 1981-05-05 US disclosed
US-4252694-A MICROBIOCIDES ROHM AND HAAS COMPANY (US) 1981-02-24 US disclosed
US-4243403-A BACTERICIDES, ACRYLIC POLYMERS, FUNGICIDES ROHM AND HAAS COMPANY (US) 1981-01-06 US disclosed
US-4165318-A AGAINST CHEMICAL DECOMPOSITION OF THE 3-ISOTHIAZOLONE MILDEW CONTROLLING AGENT ROHM AND HAAS COMPANY (US) 1979-08-21 US disclosed
US-4129448-A A 3-ISOTHIAZOLONE ROHM AND HAAS COMPANY (US) 1978-12-12 US disclosed
US-4105431-A BACTERICIDES, FUNGICIDES, ALGICIDES ROHM AND HAAS COMPANY (US) 1978-08-08 US disclosed
US-4031055-A ISOTHIAZOLONE; MILDEW RESISTANCE ROHM AND HAAS COMPANY (US) 1977-06-21 US disclosed