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SCHEMBL4970177

SCHEMBL4970177

O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)C(OP(=O)(O)O)O[C@@H]2COP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.46
▸ IGF2R P11717 4/20 0.41
▸ ITPR3 Q14573 2/20 0.40
▸ ITPR2 Q14571 1/20 0.40
▸ ITPR1 Q14643 1/20 0.40
▸ INPPL1 O15357 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ SMPD1 P17405 1/20 0.39

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
SCHEMBL15764610 0.93 FBP1 (0.45) FBP1IGF2R
SCHEMBL897632 0.93 FBP1 (0.45) FBP1IGF2R
SCHEMBL15631721 0.93 FBP1 (0.45) FBP1IGF2R
SCHEMBL897629 0.93 FBP1 (0.45) FBP1IGF2R
SCHEMBL15764622 0.85 FBP1 (0.38) FBP1IGF2R
SCHEMBL15631719 0.85 FBP1 (0.38) FBP1IGF2R
SCHEMBL898764 0.77 FBP1 (0.46) FBP1IGF2RITPR3
SCHEMBL898646 0.77 FBP1 (0.46) FBP1IGF2RITPR3
SCHEMBL15728259 0.76 FBP1 (0.64) FBP1IGF2RITPR3SMPD1
SCHEMBL15874064 0.76 IGF2R (0.48) IGF2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087992-B1 ANTITHROMBOTIC COMPOUNDS ORGANON NV (NL) 2008-08-20 — — EP disclosed
US-6486129-B1 Antithrombotic compounds AKZO NOBEL N.V. (NL) 2002-11-26 — — US disclosed
EP-1087992-A1 ANTITHROMBOTIC COMPOUNDS Akzo Nobel N.V. (NL) 2001-04-04 — — EP disclosed
WO-1999065934-A1 ANTITHROMBOTIC COMPOUNDS AKZO NOBEL N.V. (NL) 1999-12-23 — — WO disclosed
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