SCHEMBL6891214

SCHEMBL6891214

C=C(C(N)=O)C(C)C(O)CC

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.32

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
SCHEMBL17183777 0.80 TDP1 (0.36) TDP1
SCHEMBL16468643 0.80 TSHR (0.33) TSHR
SCHEMBL367397 0.75
SCHEMBL553900 0.75
SCHEMBL8401516 0.75
SCHEMBL8402309 0.75
SCHEMBL8973674 0.74 TDP1 (0.43) TDP1
Ammonia Solution, Strong SCHEMBL9225324 0.73 TDP1 (0.38) TDP1
SCHEMBL27814874 0.73 TDP1 (0.38) TDP1
SCHEMBL17672253 0.72 TDP1 (0.41) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906015-A4 LIVER RETENTION CLEARING AGENTS NEORX CORP (US) 2004-05-12 EP disclosed
EP-0906015-A1 LIVER RETENTION CLEARING AGENTS NEORX CORPORATION (US) 1999-04-07 EP disclosed
WO-1997046099-A1 LIVER RETENTION CLEARING AGENTS NEORX CORPORATION (US) 1997-12-11 WO disclosed