SCHEMBL30306604

SCHEMBL30306604

CCCCN(CCCC)c1ccc(C2=C(c3ccc(C(F)(F)F)cc3)OCCO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.43
NR1H3 Q13133 14/20 0.43
DRD2 P14416 1/20 0.40
NR1I2 O75469 1/20 0.40
AR P10275 1/20 0.38
MLYCD O95822 1/20 0.37
TLR8 Q9NR97 1/20 0.36
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL23481240 0.86 DRD2 (0.38) NR1H2NR1H3DRD2NR1I2AR
SCHEMBL7755356 0.84 NR1H2 (0.54) NR1H2NR1H3NR1I2ARMLYCD
SCHEMBL23481199 0.83 AR (0.34) NR1H2NR1H3NR1I2AR
SCHEMBL21519640 0.78 NR1H2 (0.48) NR1H2NR1H3NR1I2AR
SCHEMBL3983038 0.78 NR1H2 (0.48) NR1H2NR1H3NR1I2AR
SCHEMBL8001280 0.78 NR1H2 (0.48) NR1H2NR1H3NR1I2AR
SCHEMBL12069742 0.76 NR1H2 (0.47) NR1H2NR1H3NR1I2AR
SCHEMBL19503409 0.75 NR1H2 (0.46) NR1H2NR1H3NR1I2AR
SCHEMBL5073885 0.74 RORC (0.47) NR1H2NR1H3ARMLYCD
SCHEMBL23481194 0.72 AR (0.36) NR1H2NR1H3DRD2NR1I2AR

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
CN-115947711-B Photochemical caching agent and synthesis method thereof 上海泰辉生物科技有限公司 2024-06-11 CN disclosed
CN-115947711-A Photochemical buffering agent and synthesis method thereof 上海泰辉生物科技有限公司 2023-04-11 CN disclosed