SCHEMBL7949993

SCHEMBL7949993

CCC(C)C(O)CC(O)CC=O

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
GAPDH P04406 1/20 0.30

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
SCHEMBL1782447 0.85 TSHR (0.32) TSHRGAPDH
SCHEMBL1782459 0.82
SCHEMBL17984937 0.80
SCHEMBL1785890 0.78 PTPN1 (0.36) TSHRGAPDH
SCHEMBL18799607 0.78 PTPN1 (0.36) TSHRGAPDH
SCHEMBL5674870 0.78 GAPDH (0.34) TSHRGAPDH
SCHEMBL16882890 0.77 TSHR (0.40) TSHR
SCHEMBL28946275 0.77 TSHR (0.40) TSHR
SCHEMBL1781121 0.76
SCHEMBL1782550 0.75 PTPN1 (0.34) TSHRGAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262029-B1 TRITERPENE AGLYCONE CORE SUBSTITUTED AT POSITIONS 3 AND 28 WITH A MONOSACCHARIDE OR AN OLIGOSACCHARIDE WHICH CAN BE THE SAME OR DIFFERENT, AND HAVING AN ALDEHYDE GROUP ATTACHED TO THE CORE, PREFERABLY AT THE 4-POSITION. GALENICA PHARMACEUTICALS, INC. 2001-07-17 US claimed
WO-2000009075-A2 CHEMICALLY MODIFIED SAPONINS AND THE USE THEREOF AS ADJUVANTS GALENICA PHARMACEUTICALS, INC. (US) 2000-02-24 WO claimed