SCHEMBL8630648

SCHEMBL8630648

O=C(O)C(O)(Cc1cccnc1)C(=O)O.[LiH]

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.63
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 1/20 0.58
HIF1A Q16665 1/20 0.58
BTN3A1 O00481 1/20 0.57
PDE3A Q14432 1/20 0.57
NAPRT Q6XQN6 1/20 0.56
KCNA5 P22460 1/20 0.50
TBXAS1 P24557 8/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL27397456 0.81 FDPS (0.60) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
Lithium Ion SCHEMBL8630645 0.81 FDPS (0.55) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7675394 0.80 CYP1A2 (0.69) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7861665 0.79 FDPS (0.59) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31711484 0.79 FDPS (0.58) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28245984 0.78 FDPS (0.57) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8504424 0.78 FDPS (0.57) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4893738 0.78 FDPS (1.00) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3805248 0.77 SMN1; SMN2 (0.59) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL25260237 0.77 FDPS (0.56) FDPSCYP1A2CYP3A4CYP2C9CYP2C19

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