Sugi Predict

Sugi Predict / Compounds / SCHEMBL5452005

SCHEMBL5452005

SCHEMBL5452005

C=C(C)C(=O)OC1(C(=O)O)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP2C19 P33261 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL17245073 0.84 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL24207760 0.84 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL1930428 0.78 ALDH1A1 (0.41) ALDH1A1ELANETSHR
SCHEMBL1442824 0.77 ELANE (0.47) ALDH1A1ELANETSHR
SCHEMBL21348876 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL685576 0.76 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL487008 0.76 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL6912158 0.76 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL1832545 0.76 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL28137014 0.76 ALDH1A1 (0.39) ALDH1A1TSHR

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-20070231741-A1 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-10-04 — — US disclosed
EP-1634124-A1 PHOTOCURABLE RESIN COMPOSITION DSM IP Assets B.V. (NL) 2006-03-15 — — EP disclosed
WO-2004111733-A1 PHOTOCURABLE RESIN COMPOSITION DSM IP ASSETS B.V. (NL) 2004-12-23 — — WO disclosed