SCHEMBL1605756

SCHEMBL1605756

CC(C)C(C)(O)C#N

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
SCHEMBL12515118 1.00
SCHEMBL5697019 1.00
SCHEMBL2508657 0.77
SCHEMBL394228 0.73 ALDH1A1 (0.41)
Dimethylketone Cyanohydrin SCHEMBL28274203 0.71 ALDH1A1 (0.40)
SCHEMBL11041717 0.71 ALDH1A1 (0.39)
Acetonitrile SCHEMBL17394814 0.71 ALDH1A1 (0.39)
SCHEMBL14851368 0.71
SCHEMBL3226761 0.69
Dimethylketone Cyanohydrin SCHEMBL28204579 0.69 TSHR (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0957083-B1 Process for stabilising cyanhydrines DSM FINE CHEM AUSTRIA GMBH (AT) 2002-04-10 EP claimed
US-6031123-A Process for stabilizing cyanohydrins DSM FINE CHEMICALS AUSTRIA GMBH (AT) 2000-02-29 US claimed
EP-0510689-A1 Hydrocyanation of pentenenitriles using cyanohydrins E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-28 EP claimed
US-5107012-A Using an additive to promote dissociation of the cyanohydrin, a nickel complex catalyst and catalyst promoter; slurrying E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-21 US claimed
US-4246189-A FOR EASE OF MATERIALS HANDLING DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-01-20 US claimed
CN-119192025-A Industrial preparation method and application of alpha-hydroxynitrile 哈尔滨理工大学 2024-12-27 CN disclosed
US-10723751-B2 Compositions and methods for treating infectious disease SICHTNIK LASZLO (US) 2020-07-28 US disclosed
EP-2968377-B1 COMPOSITIONS AND METHODS FOR TREATING INFECTIOUS DISEASE SICHTNIK LASZLO (US) 2020-07-22 EP disclosed
US-20190144483-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIOUS DISEASE SICHTNIK LASZLO (US) 2019-05-16 US disclosed
US-10183964-B2 Compositions and methods for treating infectious disease Sichtnik, Laszlo (US) 2019-01-22 US disclosed
EP-2968377-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIOUS DISEASE Sichtnik, Laszlo (US) 2016-01-20 EP disclosed
US-20160002277-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIOUS DISEASE SICHTNIK LASZLO (US) 2016-01-07 US disclosed
EP-1043323-A1 TRIKETONE DERIVATIVES Idemitsu Kosan Co., Ltd. (JP) 2000-10-11 EP disclosed
US-6031123-A Process for stabilizing cyanohydrins DSM FINE CHEMICALS AUSTRIA GMBH (AT) 2000-02-29 US disclosed
US-5714356-A Enzymic process for preparing aliphatic S-cyanohydrins DSM CHEMIE LINZ GMBH (AT) 1998-02-03 US disclosed
US-5480858-A HERBICIDES; LOW DOSAGE; CORN, BARLEY, WHEAT IDEMITSU KOSAN CO., LTD. (JP) 1996-01-02 US disclosed
US-5107012-A Using an additive to promote dissociation of the cyanohydrin, a nickel complex catalyst and catalyst promoter; slurrying E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-21 US disclosed
US-4486600-A Process for the production of β-hydroxy-α-aminocarboxylic acids DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-12-04 US disclosed
US-4482760-A HYDROGENATING A CYANOHYDRIN DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-11-13 US disclosed
US-4246189-A FOR EASE OF MATERIALS HANDLING DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-01-20 US disclosed