SCHEMBL28207883

SCHEMBL28207883

C=C(C(=O)OC)C(C)O.C=C(C)C(C)O

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL599284 0.93
SCHEMBL3855198 0.93
SCHEMBL3859257 0.93
Methacrylic Acid SCHEMBL28112563 0.87 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2ATP53
Phosphoric Acid SCHEMBL28170391 0.84 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATP53
Propene SCHEMBL28837663 0.84 ALDH1A1 (0.41) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL28137450 0.84 TDP1 (0.42) ALDH1A1TSHR
Succinic Acid SCHEMBL28017321 0.81 ALDH1A1 (0.38) ALDH1A1TSHRMEN1KMT2ATP53
Maleic Acid SCHEMBL28193790 0.81 HCAR2 (0.45) ALDH1A1TSHRTP53
Propylene Glycol SCHEMBL28324960 0.81 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104541189-B Optical film and its manufacture method, polarizer and liquid crystal display device 富士胶片株式会社 2018-03-23 CN disclosed