SCHEMBL8645846

SCHEMBL8645846

CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)N[C@H](CCC(=O)O)C(=O)O)OC(=O)CCCCCCCCCCCCCCC

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 20/20 0.69

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
SCHEMBL9273706 0.98 TLR2 (0.67) TLR2
SCHEMBL8649225 0.98 TLR2 (0.67) TLR2
SCHEMBL9268038 0.98 TLR2 (0.67) TLR2
SCHEMBL9273149 0.98 TLR2 (0.67) TLR2
SCHEMBL8649216 0.98 TLR2 (0.67) TLR2
SCHEMBL9276298 0.98 TLR2 (0.67) TLR2
SCHEMBL9277696 0.98 TLR2 (0.67) TLR2
SCHEMBL9273116 0.98 TLR2 (0.67) TLR2
SCHEMBL9273724 0.98 TLR2 (0.67) TLR2
SCHEMBL8650135 0.94 TLR2 (0.65) TLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604957-B1 2-Amino-6,7-dihydroxy-4-thiaheptanoic acid derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-09 — — EP claimed
US-5478808-A Blood disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 — — US claimed
EP-0604957-A1 2-Amino-6,7-dihydroxy-4-thiaheptanoic acid derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-07-06 — — EP claimed
EP-0604957-B1 2-Amino-6,7-dihydroxy-4-thiaheptanoic acid derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-09-09 — — EP disclosed
US-5478808-A Blood disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 — — US disclosed
EP-0604957-A1 2-Amino-6,7-dihydroxy-4-thiaheptanoic acid derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-07-06 — — EP disclosed
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