SCHEMBL6910973

SCHEMBL6910973

CCC(C)(C)O[Zr]OC(C)(C)CC

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
Water SCHEMBL28075077 0.72 TSHR (0.53) TSHRTDP1ALDH1A1
Water SCHEMBL7275620 0.72 TSHR (0.53) TSHRTDP1ALDH1A1
Water SCHEMBL22581155 0.72 TSHR (0.53) TSHRTDP1ALDH1A1
SCHEMBL28439629 0.69
Water SCHEMBL20578221 0.69 TSHR (0.93) TSHRTDP1ALDH1A1
Ammonia Solution, Strong SCHEMBL26699156 0.69 TSHR (0.50) TSHRTDP1ALDH1A1
SCHEMBL30636 0.67 TSHR (0.56) TSHRTDP1ALDH1A1
SCHEMBL22437 0.67 TSHR (0.56) TSHRTDP1ALDH1A1
SCHEMBL2391339 0.67 TSHR (0.47) TSHRTDP1ALDH1A1
Hydrochloric Acid SCHEMBL30492650 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254192-B1 ORGANOSILOXANE COMPOSITIONS DOW CORNING SA (BE) 2004-08-04 EP claimed
EP-1254192-A2 ORGANOSILOXANE COMPOSITIONS DOW CORNING S.A. (BE) 2002-11-06 EP claimed
WO-2001049789-A2 ORGANOSILOXANE COMPOSITIONS DOW CORNING S.A. (BE) 2001-07-12 WO claimed
EP-1254192-A2 ORGANOSILOXANE COMPOSITIONS DOW CORNING S.A. (BE) 2002-11-06 EP disclosed
WO-2001049789-A2 ORGANOSILOXANE COMPOSITIONS DOW CORNING S.A. (BE) 2001-07-12 WO disclosed