SCHEMBL25640658

SCHEMBL25640658

c1ccc(N(c2ccc3c(c2)sc2ccc4c5ccc6ccccc6c5oc4c23)c2ccc3oc4cc(-c5ccc6c(ccc7c8ccc9sc%10cc(N(c%11ccccc%11)c%11ccc%12sc%13ccccc%13c%12c%11)ccc%10c9c8oc67)c5)ccc4c3c2)cc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1B1 Q16678 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
SCHEMBL25640665 0.91 MMP12 (0.32) CYP1A1CYP1B1
SCHEMBL25640449 0.89 MMP12 (0.32) CYP1A1CYP1B1
SCHEMBL25640645 0.87 DUSP3 (0.32) CYP1A1CYP1B1
SCHEMBL25640671 0.87 CYP1A1 (0.36) CYP1A1CYP1B1
SCHEMBL25640430 0.87 KDM4E (0.33) CYP1A1CYP1B1
SCHEMBL25640657 0.87 HPGD (0.34) CYP1A1CYP1B1
SCHEMBL25640656 0.86 CYP1A1 (0.34) CYP1A1CYP1B1
SCHEMBL24887591 0.86 CYP1A1 (0.33) CYP1A1CYP1B1
SCHEMBL24887964 0.85 CYP1A1 (0.34) CYP1A1CYP1B1
SCHEMBL25640672 0.85 CYP1A1 (0.40) CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023113334-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DIODE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DIODE, ORGANIC OPTOELECTRONIC DIODE, AND DISPLAY DEVICE 삼성에스디아이 주식회사 2023-06-22 — — WO disclosed
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