SCHEMBL6151834

SCHEMBL6151834

CC(C)OC(=N)C(C)(C)N=NC(C)(C)C(=N)OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.31

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
SCHEMBL2869141 0.70 CA12 (0.39) CA12CA1CA2CA9TSHR
SCHEMBL6151442 0.70 ALDH1A1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL6151444 0.70 ALDH1A1 (0.43) CA12CA1CA2CA9ALDH1A1
SCHEMBL9331369 0.70 TSHR (0.42) CA12CA1CA2CA9CYP3A4
SCHEMBL9331365 0.70 TSHR (0.42) CA12CA1CA2CA9CYP3A4
SCHEMBL22143239 0.69 CA12 (0.38) CA12CA1CA2CA9TSHR
Hydrochloric Acid SCHEMBL9286555 0.69 ALDH1A1 (0.48) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL9286549 0.69 ALDH1A1 (0.48) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL6151823 0.69 ALDH1A1 (0.48) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL6151822 0.69 ALDH1A1 (0.48) CA12CA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1195376-B1 Azoamidine compounds and their use as polymerization initiators WAKO PURE CHEMICAL INDUSTIES L (JP) 2005-02-02 EP disclosed
US-6403774-B1 WATER SOLUBLE POLYMERIZATION INITIATOR. WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
US-20020062012-A1 Novel azoamidine compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-23 US disclosed
EP-1195376-A1 Azoamidine compounds and their use as polymerization initiators Wako Pure Chemical Industies, Ltd. (JP) 2002-04-10 EP disclosed