SCHEMBL28828006

SCHEMBL28828006

CC1(C)c2ccccc2Oc2cccc(P(C3CCCCC3)C3CCCCC3)c21

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.36
DRD1 P21728 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 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
SCHEMBL18107528 0.77 ROCK2 (0.36) CHRM3DRD1MEN1GAACYP2C9
SCHEMBL31224678 0.77 DRD1 (0.51) DRD1CYP3A4CYP2D6
SCHEMBL17332144 0.77 DRD1 (0.51) DRD1CYP3A4CYP2D6
SCHEMBL29824596 0.77 DRD1 (0.51) DRD1CYP3A4CYP2D6
SCHEMBL27741516 0.76 DRD1 (0.41) CHRM3DRD1
SCHEMBL28389493 0.73 DRD1 (0.39) CHRM3DRD1
SCHEMBL29672797 0.73 DRD1 (0.60) CHRM3DRD1CYP3A4
SCHEMBL195977 0.73 DRD1 (0.60) CHRM3DRD1CYP3A4
SCHEMBL6131405 0.71 TMEM97 (0.32) DRD1CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL28707582 0.71 MEN1 (0.39) CHRM3DRD1MEN1GAACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117280489-A Positive electrode mixture, positive electrode, and secondary battery 大金工业株式会社 2023-12-22 CN disclosed
CN-117223122-A Positive electrode mixture, positive electrode, and secondary battery 大金工业株式会社 2023-12-12 CN disclosed
CN-117223123-A Positive electrode mixture, positive electrode, and secondary battery 大金工业株式会社 2023-12-12 CN disclosed
CN-114967330-A Colored resin composition 住友化学株式会社 2022-08-30 CN disclosed
CN-114967328-A Colored resin composition 住友化学株式会社 2022-08-30 CN disclosed