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SCHEMBL24337246

SCHEMBL24337246

CC1(C)CC(OC(=O)CC(C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)C(CC(=O)OC2CC(C)(C)N(I)C(C)(C)C2)C(=O)OC2CC(C)(C)N(O)C(C)(C)C2)CC(C)(C)N1O

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP2D6 P10635 1/20 0.32
▸ LMNA P02545 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
SCHEMBL7506478 0.93 GAA (0.41) GAAHTTCYP2D6LMNA
SCHEMBL19884595 0.89 GAA (0.37) GAAHTTCYP2D6LMNA
SCHEMBL18072166 0.88 GAA (0.38) GAAHTTCYP2D6LMNA
SCHEMBL23846261 0.88 GAA (0.38) GAAHTTCYP2D6LMNA
SCHEMBL22426085 0.86 GAA (0.37) GAAHTTCYP2D6LMNA
SCHEMBL25805960 0.86 GAA (0.37) GAAHTTCYP2D6LMNA
SCHEMBL21675508 0.86 GAA (0.37) GAAHTTCYP2D6LMNA
SCHEMBL20925125 0.85 GAA (0.38) GAAHTTCYP2D6LMNA
SCHEMBL20434821 0.85 GAA (0.36) GAAHTTCYP2D6LMNA
SCHEMBL19401234 0.85 GAA (0.36) GAAHTTCYP2D6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3985085-A2 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2022-04-20 — — EP disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 — — US disclosed