SCHEMBL29699581

SCHEMBL29699581

O=C1C=Cc2ccc3pcccc3c2C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL994781 0.73 CES1 (0.47) GSK3AGSK3B
Hydrochloric Acid SCHEMBL25188850 0.71 CES1 (0.46)
SCHEMBL16337407 0.69 HPRT1 (0.47)
SCHEMBL30783256 0.69 HPRT1 (0.47)
SCHEMBL10980592 0.62 ERN1 (0.39) GSK3AGSK3B
SCHEMBL28406255 0.61 ACHE (0.42) GSK3AGSK3B
SCHEMBL3078315 0.57 ALDH1A1 (0.55)
SCHEMBL3221410 0.56 GSK3A (0.42) GSK3AGSK3B
SCHEMBL31054175 0.56 ALDH1A1 (0.52)
SCHEMBL30368542 0.56 ALDH1A1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111890742-B Environment-friendly bio-based high-shading flame-retardant composite material and preparation method thereof 杭州弘毅智创科技有限公司 2022-07-01 CN claimed
CN-112723342-B Phosphorus-containing functionalized graphene and preparation method and application thereof 中国石油化工股份有限公司 2023-02-24 CN disclosed
CN-111890742-B Environment-friendly bio-based high-shading flame-retardant composite material and preparation method thereof 杭州弘毅智创科技有限公司 2022-07-01 CN disclosed