SCHEMBL28161237

SCHEMBL28161237

CCCCOOC(C)(C)OC(=O)O.O=C(O)Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TSHR P16473 3/20 0.34
HPGD P15428 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
THRA P10827 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL131237 0.95 ALDH1A1 (0.38) ALDH1A1TSHRHPGDHCAR2ATM
SCHEMBL28161238 0.92 HCAR2 (0.35) ALDH1A1TSHRHPGDHCAR2ATM
SCHEMBL28007875 0.90 ALDH1A1 (0.34) ALDH1A1TSHRHPGDHCAR2ATM
SCHEMBL8593909 0.89 NAAA (0.37) ALDH1A1TSHRHCAR2TP53
Tert-Butyl Hydroperoxide SCHEMBL27986868 0.88 TSHR (0.33) ALDH1A1TSHRHPGDHCAR2ATM
SCHEMBL1581663 0.88 NAAA (0.40) ALDH1A1TSHRHCAR2TP53TDP1
Tert-Butyl Hydroperoxide SCHEMBL28255759 0.85 HPGD (0.32) ALDH1A1TSHRHPGDHCAR2ATM
SCHEMBL131236 0.82 ALDH1A1 (0.39) ALDH1A1TSHRHPGDHCAR2ATM
Acetophenone SCHEMBL28867202 0.81 LMNA (0.42) ALDH1A1TSHRHPGDTDP1L3MBTL1
Propiophenone SCHEMBL28262085 0.79 SMN1; SMN2 (0.43) ALDH1A1TSHRTDP1L3MBTL1

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
CN-106916184-B A kind of preparation method of tenofovir dipivoxil 成都倍特药业有限公司 2019-02-01 CN claimed
CN-106916184-A A kind of preparation method of tenofovir dipivoxil 成都倍特药业有限公司 2017-07-04 CN claimed
CN-106916184-B A kind of preparation method of tenofovir dipivoxil 成都倍特药业有限公司 2019-02-01 CN disclosed
CN-106916184-B A kind of preparation method of tenofovir dipivoxil 成都倍特药业有限公司 2019-02-01 CN disclosed
CN-106916184-A A kind of preparation method of tenofovir dipivoxil 成都倍特药业有限公司 2017-07-04 CN disclosed
CN-106916184-A A kind of preparation method of tenofovir dipivoxil 成都倍特药业有限公司 2017-07-04 CN disclosed