SCHEMBL4596697

SCHEMBL4596697

O=P(O)(O)O[C@H]1C(O)O[C@H](CO)[C@H]1O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.48
ITPR3 Q14573 4/20 0.47
ITPR2 Q14571 1/20 0.47
ITPR1 Q14643 1/20 0.47

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
SCHEMBL5381912 1.00 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL4595256 1.00 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL7796118 1.00 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL5378658 1.00 SMPD1 (0.48) SMPD1ITPR3ITPR2ITPR1
SCHEMBL30237668 0.93 SMPD1 (0.54) SMPD1ITPR3ITPR2ITPR1
SCHEMBL7798872 0.87 SMPD1 (0.50) SMPD1ITPR3ITPR2ITPR1
SCHEMBL4191662 0.87 SMPD1 (0.50) SMPD1ITPR3ITPR2ITPR1
SCHEMBL4442196 0.87 SMPD1 (0.50) SMPD1ITPR3ITPR2ITPR1
SCHEMBL31076318 0.86 ADORA1 (0.43) SMPD1ITPR3ITPR2ITPR1
SCHEMBL31076275 0.86 ADORA1 (0.43) SMPD1ITPR3ITPR2ITPR1

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
CN-119031926-A Spray-dried inhalable biotherapeutic agents for the treatment of diseases 艾维尔勒斯生物公司 2024-11-26 CN disclosed
CN-117098845-A Lipoteichoic acid (LTA) aptamer and related methods 费森尤斯医疗保健控股公司 2023-11-21 CN disclosed
CN-115785084-A Pyrimidine derivatives and their use in medicine 广东东阳光药业有限公司 2023-03-14 CN disclosed
EP-1161685-B1 METHOD FOR REDUCING FLUORESCENCE QUENCHING IN BIOASSAYS CIS BIO INT (FR) 2008-01-09 EP disclosed