SCHEMBL14289508

SCHEMBL14289508

C=C(C)C(=O)OCC1COC(C)(C23CC4CC(CC(C4)C2)C3)O1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
CA2 P00918 1/20 0.33
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
TP53 P04637 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
SCHEMBL14470792 0.81 ALDH1A1 (0.65) ALDH1A1CA2CYP3A4TSHRCYP2D6
SCHEMBL378537 0.81 ALDH1A1 (0.65) ALDH1A1CA2CYP3A4TSHRCYP2D6
Amantadine SCHEMBL11302440 0.77 ALDH1A1 (0.69) ALDH1A1CYP3A4TSHRCYP2D6CYP2C19
Adamantane SCHEMBL28909437 0.77 ALDH1A1 (0.86) ALDH1A1CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL14289509 0.74
SCHEMBL6052957 0.74 ALDH1A1 (0.59) ALDH1A1CA2CYP3A4TSHRCYP2D6
SCHEMBL924281 0.74 ALDH1A1 (0.59) ALDH1A1CA2CYP3A4TSHRCYP2D6
SCHEMBL14065604 0.74 ALDH1A1 (0.59) ALDH1A1CA2CYP3A4TSHRCYP2D6
SCHEMBL15617 0.74 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL5098171 0.74 ALDH1A1 (1.00) ALDH1A1CYP3A4TSHRCYP2D6CYP2C19

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
EP-1447403-B1 5-METHYLENE-1,3-DIOXOLAN-4-ONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, POLYMERS OF THE DERIVATIVES, RESIST COMPOSITIONS, AND PATTERN FORMATION PROCESS MITSUBISHI RAYON CO (JP) 2016-02-03 EP disclosed
US-7316884-B2 5-methylene-1,3-dioxolan-4-one derivatives, process for their production, polymers of the derivatives, resist compositions, and pattern formation process MITSUBISHI RAYON CO., LTD. (JP) 2008-01-08 US disclosed
US-7316884-B2 5-methylene-1,3-dioxolan-4-one derivatives, process for their production, polymers of the derivatives, resist compositions, and pattern formation process MITSUBISHI RAYON CO., LTD. (JP) 2008-01-08 US disclosed