SCHEMBL26939734

SCHEMBL26939734

CC(C)C(OC(=O)C(C)(C)C(=O)O)OC1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 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
SCHEMBL26939723 0.98 CYP19A1 (0.30) CYP19A1
SCHEMBL26939728 0.84 CYP19A1 (0.36) CYP19A1LMNACYP1A2CYP2D6SCN1A
SCHEMBL26939735 0.83 CYP19A1 (0.33) CYP19A1
SCHEMBL26939725 0.81 CYP19A1 (0.31) CYP19A1
SCHEMBL15945472 0.81 HMGCR (0.34) CYP19A1
SCHEMBL26939733 0.78 EPHX1 (0.34) CYP19A1
SCHEMBL19901928 0.77
SCHEMBL23383113 0.77 TSHR (0.37) CYP19A1LMNACYP1A2CYP2D6SCN1A
SCHEMBL26939721 0.76 EPHX1 (0.32)
SCHEMBL23383112 0.75 TSHR (0.38) CYP19A1

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
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed
US-20230400766-A1 ONIUM SALT, RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-12-14 US disclosed