Sugi Predict

Sugi Predict / Compounds / SCHEMBL19683217

SCHEMBL19683217

SCHEMBL19683217

C=C(C)C(=O)OC1OC[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(=C)C)[C@@H]1OC(=O)C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 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
SCHEMBL18510006 1.00 PTPN1 (0.39) PTPN1ALDH1A1CA1CA2CA9
SCHEMBL18503096 0.88 ALDH1A1 (0.41) PTPN1ALDH1A1CA1CA2CA9
SCHEMBL16488176 0.88 ALDH1A1 (0.41) PTPN1ALDH1A1CA1CA2CA9
SCHEMBL9912672 0.88 ALDH1A1 (0.41) PTPN1ALDH1A1CA1CA2CA9
SCHEMBL17127373 0.88 ALDH1A1 (0.41) PTPN1ALDH1A1CA1CA2CA9
SCHEMBL803271 0.88 ALDH1A1 (0.41) PTPN1ALDH1A1CA1CA2CA9
SCHEMBL18517340 0.88 PTPN1 (0.31) PTPN1ALDH1A1
SCHEMBL22821594 0.82 ALDH1A1 (0.39) PTPN1ALDH1A1CA1CA2CA9
SCHEMBL24989866 0.80 ALDH1A1 (0.39) ALDH1A1
SCHEMBL21162944 0.79 POLB (0.37) PTPN1ALDH1A1CA1CA2CA9

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
US-20180119010-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-05-03 — — US disclosed
US-9868904-B2 Liquid crystal displays and liquid crystalline media with homeotropic alignment MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2018-01-16 — — US disclosed
US-20170351130-A1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2017-12-07 — — US disclosed