SCHEMBL5576599

SCHEMBL5576599

Cc1ccc(C)c2c1C=CCC2C

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL31573810 1.00
SCHEMBL23505995 0.73
SCHEMBL1478446 0.69
SCHEMBL25132521 0.66 THRB (0.33)
SCHEMBL22167569 0.65 CYP1A2 (0.32)
SCHEMBL13383730 0.64 CYP2D6 (0.35)
SCHEMBL13383726 0.64 CYP2D6 (0.35)
SCHEMBL13384089 0.64 CYP2D6 (0.35)
SCHEMBL910308 0.64
SCHEMBL8985401 0.64 HTR2C (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106137862-B Composition and cosmetics containing nano Chinese angelica 南京谷润生物科技有限公司 2019-03-08 CN disclosed
CN-106137862-A Composition containing nano Chinese angelica and cosmetics 南京谷润生物科技有限公司 2016-11-23 CN disclosed
US-7901724-B2 Fermented tea obtained by tea-rolling processing of tea material leaves and loquat leaves, and composition having extract contained in fermented tea as active component NAGASAKI PREFECTURAL GOVERNMENT (JP) 2011-03-08 US disclosed
CN-101001535-B Fermented tea obtained by kneading tea material leaves and loquat leaves, and composition containing extract contained in fermented tea as effective component NAGASAKI PREFECTURE 2010-10-13 CN disclosed
US-20070190219-A1 Fermented Tea Obtained By Tea-Rolling Processing Of Tea Material Leaves And Loquat Leaves, And Composition Having Extract Contained In Fermented Tea As Active Component NAGASAKI PREFECTURAL GOVERNMENT (JP) 2007-08-16 US disclosed
CN-101001535-A Fermented tea obtained by kneading tea material leaves and loquat leaves, and composition containing extract contained in fermented tea as effective component NAGASAKI PREFECTURE (JP) 2007-07-18 CN disclosed