SCHEMBL39255

SCHEMBL39255

O=CN(C1CCCCC1)C1CCCCC1

nearest known ligand 0.94

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 14/20 0.94
ADH1C P00326 11/20 0.94
ADH4 P08319 3/20 0.89
ADH1B P00325 5/20 0.50
ADH7 P40394 3/20 0.37
FDPS P14324 1/20 0.34
PHGDH O43175 1/20 0.32
SRD5A1 P18405 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
SCHEMBL10913207 1.00 ADH1A (0.94) ADH1AADH1CADH4ADH1BADH7
SCHEMBL10013014 1.00 ADH1A (0.94) ADH1AADH1CADH4ADH1BADH7
SCHEMBL14855293 1.00 ADH1A (0.94) ADH1AADH1CADH4ADH1BADH7
SCHEMBL8745531 1.00 ADH1A (0.94) ADH1AADH1CADH4ADH1BADH7
SCHEMBL10012570 1.00 ADH1A (0.94) ADH1AADH1CADH4ADH1BADH7
SCHEMBL5122418 0.97 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
SCHEMBL3160136 0.97 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
Cyclobutyl(Cyclopentyl)Formamide SCHEMBL4315833 0.97 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
SCHEMBL6005197 0.94 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7
SCHEMBL4496323 0.94 ADH1A (1.00) ADH1AADH1CADH4ADH1BADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119039684-A Polymer-based PTC composite material based on pi-pi interaction, preparation method and application 四川大学 2024-11-29 CN claimed
CN-118652278-A Chiral silicon spiro phosphine-oxazoline ligand, ionic iridium complex, preparation method and application thereof 复旦大学 2024-09-17 CN claimed
CN-114929668-B (Meth) acrylate compound having isocyanate group and method for producing same 株式会社力森诺科 2024-08-20 CN claimed
CN-117820776-A Polymer-based composite material with low dielectric constant and low dielectric loss, and preparation method and application thereof 四川大学 2024-04-05 CN claimed
US-20230056109-A1 (METH)ACRYLIC ACID ESTER COMPOUND HAVING ISOCYANATE GROUP AND METHOD FOR PRODUCING SAME SHOWA DENKO K.K. (JP) 2023-02-23 US claimed
EP-4089070-A1 (METH)ACRYLIC ACID ESTER COMPOUND HAVING ISOCYANATE GROUP, AND METHOD FOR PRODUCING SAME Showa Denko K.K. (JP) 2022-11-16 EP claimed
CN-114929668-A (meth) acrylate compound having isocyanate group and method for producing same 昭和电工株式会社 2022-08-19 CN claimed
WO-2021141002-A1 (METH)ACRYLIC ACID ESTER COMPOUND HAVING ISOCYANATE GROUP, AND METHOD FOR PRODUCING SAME 昭和電工株式会社 2021-07-15 WO claimed
EP-1598331-B1 Process for the preparation of phthalic acid dichloride SALTIGO GMBH (DE) 2009-07-15 EP claimed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed
EP-0752452-B1 Hydroxyquinolone-monoazo dyes, their preparation and use DYSTAR TEXTILFARBEN GMBH & CO (DE) 2001-09-12 EP claimed
US-5852194-A N-substituted cis-n-propenyl-acetamides, and process for their preparation BAYER AKTIENGESELLSCHAFT (DE) 1998-12-22 US claimed
US-5760197-A YELLOW PIGMENT FOR DYEING TEXTILES DYSTAR JAPAN LTD. (JP) 1998-06-02 US claimed
EP-0752452-A1 Hydroxyquinolone-monoazo dyes, their preparation and use DyStar Japan Ltd. (JP) 1997-01-08 EP claimed
EP-0230224-B1 PROCESS FOR THE PREPARATION OF ALCOXYCARBONYL ISOCYANATES BAYER AG (DE) 1991-07-17 EP claimed
EP-0152759-B1 AMINOISOTHIAZOLE COMPOUNDS BASF Aktiengesellschaft (DE) 1989-08-23 EP claimed
EP-0150034-B1 DERIVATIVES OF 2-AMINOTHIOPHENE BASF Aktiengesellschaft (DE) 1989-08-02 EP claimed
US-4785116-A Aminoisothiazole compounds BASF AKTIENGESELLSCHAFT (DE) 1988-11-15 US claimed
US-4777283-A Process for the preparation of alkoxycarbonyl isocyanates BAYER AKTIENGESELLSCHAFT (DE) 1988-10-11 US claimed
US-4640892-A STORAGE STABLE BASE PRECURSOR FUJI PHOTO FILM CO., LTD. (JP) 1987-02-03 US claimed