SCHEMBL28216786

SCHEMBL28216786

O=C(O)C(F)(F)C(F)F.[Y]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.33
ODC1 P11926 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 1/20 0.32
TP53 P04637 1/20 0.30
TSHR P16473 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
SCHEMBL128482 0.97
Ammonia Solution, Strong SCHEMBL29007565 0.94 PKM (0.39) PKMALDH1A1ODC1L3MBTL1KDM4E
SCHEMBL28804484 0.94 PKM (0.39) PKMALDH1A1ODC1L3MBTL1KDM4E
SCHEMBL1372401 0.94 PKM (0.39) PKMALDH1A1ODC1L3MBTL1KDM4E
SCHEMBL9069392 0.94 PKM (0.39) PKMALDH1A1ODC1L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL16600366 0.94 PKM (0.39) PKMALDH1A1ODC1L3MBTL1KDM4E
Benzene SCHEMBL29009877 0.91 PKM (0.38) PKMALDH1A1ODC1L3MBTL1KDM4E
Water SCHEMBL28038398 0.91 PKM (0.38) PKMALDH1A1ODC1L3MBTL1KDM4E
SCHEMBL29694572 0.84 TP53 (0.35) PKMTP53
SCHEMBL8441830 0.84 ALDH1A1 (0.44) PKMALDH1A1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107936596-A Good environmentally-friendly plastic of a kind of mechanical property and preparation method thereof 郑州莉迪亚医药科技有限公司 2018-04-20 CN claimed
CN-107936596-A Good environmentally-friendly plastic of a kind of mechanical property and preparation method thereof 郑州莉迪亚医药科技有限公司 2018-04-20 CN disclosed
CN-107936596-A Good environmentally-friendly plastic of a kind of mechanical property and preparation method thereof 郑州莉迪亚医药科技有限公司 2018-04-20 CN disclosed