SCHEMBL8636588

SCHEMBL8636588

O=C(O)C(O)(Cc1ccccn1)C(=O)O.[LiH]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.56
PTPRA P18433 1/20 0.49
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6638562 0.81 FDPS (0.54) FDPSPTPRASMN1; SMN2ALDH1A1CYP1A2
Lithium Ion SCHEMBL8636586 0.81 FDPS (0.54) FDPSPTPRASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL27461429 0.81 CYP1A2 (0.55) FDPSPTPRASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10411105 0.79 FDPS (0.51) FDPSPTPRASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL29694017 0.79 CYP1A2 (0.53) FDPSPTPRASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7810653 0.79 FDPS (0.51) FDPSPTPRASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL294785 0.79 CYP1A2 (0.53) FDPSPTPRASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9092131 0.79 CYP1A2 (0.53) FDPSPTPRASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL17801002 0.78 FDPS (0.51) FDPSPTPRASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL28444192 0.78 FDPS (0.51) FDPSPTPRASMN1; SMN2ALDH1A1CYP1A2

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
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
CN-1091741-A Tartronic acid and acetal ether thereof and O-ester DOMPE FARMACEUTICI SPA (IT) 1994-09-07 CN disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed