SCHEMBL7526385

SCHEMBL7526385

CC(C)(C)OOC(C)(C)C.[N]

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.89
TDP1 Q9NUW8 1/20 0.89
ALDH1A1 P00352 2/20 0.42

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
SCHEMBL14861 0.94 TDP1 (1.00) TSHRTDP1ALDH1A1
SCHEMBL28236221 0.94 TDP1 (1.00) TSHRTDP1ALDH1A1
SCHEMBL28783887 0.89 TSHR (0.89) TSHRTDP1ALDH1A1
Water SCHEMBL2208354 0.89 TSHR (0.89) TSHRTDP1ALDH1A1
SCHEMBL28465830 0.89 TSHR (0.89) TSHRTDP1ALDH1A1
Hydrochloric Acid SCHEMBL25381110 0.89 TSHR (0.89) TSHRTDP1ALDH1A1
SCHEMBL196691 0.89 TSHR (0.89) TSHRTDP1ALDH1A1
Methane SCHEMBL3208996 0.89 TSHR (0.89) TSHRTDP1ALDH1A1
SCHEMBL10413085 0.89 TSHR (0.89) TSHRTDP1ALDH1A1
SCHEMBL28844257 0.89 TSHR (0.89) TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6451951-B2 OXYGEN SCAVENGER ROHM AND HAAS COMPANY 2002-09-17 US disclosed
US-20020019506-A1 Oxygen scavenger ROHM AND HAAS COMPANY 2002-02-14 US disclosed
EP-1170304-A1 Semi-telechelic nitrogen-functional oligomer ROHM AND HAAS COMPANY (US) 2002-01-09 EP disclosed