SCHEMBL11316259

SCHEMBL11316259

COC(C)(C)CC(C)(N)C#N

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL15776833 0.76
SCHEMBL25830007 0.74
SCHEMBL1358683 0.74
SCHEMBL16885149 0.74 ALDH1A1 (0.41) ALDH1A1TSHRTDP1
SCHEMBL28649 0.73 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL22587 0.73 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL19805142 0.72
Hydrochloric Acid SCHEMBL11504677 0.72
SCHEMBL26874463 0.72
SCHEMBL1315800 0.70 ALDH1A1 (0.38) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4272435-A Process for the preparation of azo compounds from amino compounds in the presence of a phase transfer catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-06-09 US claimed
US-4218371-A IN PRESENCE OF AN IONIC BROMIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-08-19 US claimed
US-4028345-A Process for the preparation of azodinitriles from aminonitriles in the presence of a surfactant E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-06-07 US claimed
US-4272435-A Process for the preparation of azo compounds from amino compounds in the presence of a phase transfer catalyst SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-06-09 US disclosed
US-4218371-A IN PRESENCE OF AN IONIC BROMIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-08-19 US disclosed
US-4218371-A IN PRESENCE OF AN IONIC BROMIDE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-08-19 US disclosed
US-4028345-A Process for the preparation of azodinitriles from aminonitriles in the presence of a surfactant E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-06-07 US disclosed
US-3937696-A PROCESS FOR PREPARING HIGHER PURITY AZO COMPOUNDS E. I. DU PONT DE NEMOURS & CO. (US) 1976-02-10 US disclosed