SCHEMBL21963479

SCHEMBL21963479

O=C(O)CN(CC(=O)O)CP(=O)(O)O.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.48
EYA2 O00167 1/20 0.48
APP P05067 1/20 0.48
ACE P12821 1/20 0.48
BLM P54132 3/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
PMP22 Q01453 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CHRM2 P08172 1/20 0.46
ADRA2A P08913 1/20 0.46
ALOX15 P16050 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
ADRA1A P35348 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL6901362 1.00 TDP1 (0.48) TDP1EYA2APPACEBLM
SCHEMBL65674 0.97 TDP1 (0.50) TDP1EYA2APPACEBLM
SCHEMBL27709276 0.97 TDP1 (0.50) TDP1EYA2APPACEBLM
Ammonia Solution, Strong SCHEMBL30443867 0.95 TDP1 (0.48) TDP1EYA2APPACEBLM
SCHEMBL31419745 0.95 TDP1 (0.48) TDP1EYA2APPACEBLM
Potassium SCHEMBL31419746 0.95 TDP1 (0.48) TDP1EYA2APPACEBLM
Potassium Ion SCHEMBL30578304 0.95 TDP1 (0.48) TDP1EYA2APPACEBLM
Water SCHEMBL19915271 0.95 TDP1 (0.48) TDP1EYA2APPACEBLM
Ammonia Solution, Strong SCHEMBL27540506 0.95 TDP1 (0.48) TDP1EYA2APPACEBLM
Hydrochloric Acid SCHEMBL28148016 0.93 TDP1 (0.46) TDP1EYA2APPACEBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103237902-A Methods and compositions for reducing color of sugars RDM CORP 2013-08-07 CN claimed
US-11566169-B2 Rapid reversal of wettability of subterranean formations HALLIBURTON ENERGY SERVICES, INC. (US) 2023-01-31 US disclosed
US-20220049154-A1 RAPID REVERSAL OF WETTABILITY OF SUBTERRANEAN FORMATIONS HALLIBURTON ENERGY SERVICES, INC. 2022-02-17 US disclosed
WO-2020101649-A1 RAPID REVERSAL OF WETTABILITY OF SUBTERRANEAN FORMATIONS HALLIBURTON ENERGY SERVICES, INC. (US) 2020-05-22 WO disclosed
CN-103237902-A Methods and compositions for reducing color of sugars RDM CORP 2013-08-07 CN disclosed