SCHEMBL28890658

SCHEMBL28890658

O=C(NCCO)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA2 P00918 4/20 0.41
CA1 P00915 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
STS P08842 1/20 0.38
USP2 O75604 1/20 0.37
MAPT P10636 1/20 0.37
CA3 P07451 2/20 0.36
CA5A P35218 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
EPHX1 P07099 1/20 0.34

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
SCHEMBL28026596 0.92 ALDH1A1 (0.60) ALDH1A1POLBSMN1; SMN2CA2CA1
SCHEMBL1235502 0.83 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2CA2CA1
SCHEMBL1235504 0.81 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2CA2CA1
SCHEMBL28087298 0.81 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2CA2CA1
SCHEMBL5242310 0.81 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2CA2CA1
SCHEMBL6256434 0.80 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2CA2CA1
SCHEMBL6256496 0.79 CA2 (0.51) ALDH1A1POLBSMN1; SMN2CA2CA1
SCHEMBL4562126 0.78 ALDH1A1 (0.47) ALDH1A1POLBSMN1; SMN2CA2CA1
SCHEMBL6941678 0.78 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2CA2CA1
SCHEMBL6941681 0.78 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2CA2CA1

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-115353789-A Bionic non-toxic marine antifouling paint and preparation method thereof 广西瑞朗生物科技有限公司 2022-11-18 CN claimed
WO-2023249926-A2 FLUORINATED ZWITTERIONIC POLYMERS AND METHODS OF USE CORNELL UNIVERSITY (US) 2023-12-28 WO disclosed
CN-115353789-A Bionic non-toxic marine antifouling paint and preparation method thereof 广西瑞朗生物科技有限公司 2022-11-18 CN disclosed