SCHEMBL7129749

SCHEMBL7129749

C=C(C)C(=O)OCC(C)CC1(CC(C)COC(=O)C(=C)C)C2(C(=O)O)CC3CC(C2)CC1(C(=O)O)C3

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7131819 0.83 TSHR (0.33) TSHRALDH1A1
SCHEMBL7125323 0.82 TSHR (0.45) TSHRALDH1A1
SCHEMBL7132124 0.81 TSHR (0.44) TSHRALDH1A1
SCHEMBL7125425 0.79 THRB (0.38) TSHRALDH1A1
SCHEMBL7129270 0.76 TSHR (0.42) TSHRALDH1A1
SCHEMBL7121885 0.75 TSHR (0.44) TSHRALDH1A1
SCHEMBL7130202 0.74 TSHR (0.47) TSHRALDH1A1
SCHEMBL7132580 0.74 TSHR (0.47) TSHRALDH1A1
SCHEMBL7132426 0.74 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL7797407 0.74 NPSR1 (0.47) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670499-B1 Bis-Methacryloyloxy-adamantanedicarboxylate derivatives; raw materials for dental materials and lenses; transparency, luster, hardness, water resistance DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-12-30 US disclosed