SCHEMBL8165352

SCHEMBL8165352

CCC1CCCC(O)CCC1O.CCCC1CCCC(O)CCC1O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA4 P22748 1/20 0.62
TSHR P16473 1/20 0.32
SHBG P04278 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
SCHEMBL7069144 0.94 CA1 (0.69) CA1CA2CA4TSHRSHBG
SCHEMBL7066105 0.90 CA1 (0.45) CA1CA2CA4TSHRSHBG
SCHEMBL7069594 0.83 CA1 (0.53) CA1CA2CA4TSHRSHBG
SCHEMBL4838403 0.82
SCHEMBL7070191 0.80 CA1 (0.50) CA1CA2CA4
SCHEMBL7064116 0.80 CA1 (0.50) CA1CA2CA4
SCHEMBL7064123 0.80 CA1 (0.50) CA1CA2CA4
SCHEMBL2801857 0.78 CA1 (1.00) CA1CA2CA4
SCHEMBL12513262 0.78 CA1 (1.00) CA1CA2CA4
SCHEMBL12512547 0.78 CA1 (1.00) CA1CA2CA4

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
EP-1017742-A1 THERMOPLASTIC POLYURETHANE ADDITIVES FOR CHAIN EXTENSION AND REACTIVE EXTRUSION EASTMAN CHEMICAL COMPANY (US) 2000-07-12 EP claimed
WO-1999011710-A1 THERMOPLASTIC POLYURETHANE ADDITIVES FOR CHAIN EXTENSION AND REACTIVE EXTRUSION EASTMAN CHEMICAL COMPANY (US) 1999-03-11 WO claimed