SCHEMBL28559337

SCHEMBL28559337

C=Cc1ccc(C(=C)C)cc1C(=C)C

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 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
SCHEMBL28575095 0.84 SORT1 (0.32) SORT1
SCHEMBL28550837 0.83 LRRK2 (0.33)
SCHEMBL25940821 0.78 CASP1 (0.33)
SCHEMBL4511056 0.76 SORT1 (0.39) SORT1
SCHEMBL29434188 0.76 SORT1 (0.39) SORT1
SCHEMBL20157098 0.76 ALDH1A1 (0.32)
SCHEMBL25939183 0.76 EGFR (0.34)
SCHEMBL25938941 0.76 APP (0.37)
SCHEMBL19364068 0.73 ALDH1A1 (0.32)
SCHEMBL23864239 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109776358-B Polyalkenyl aryl isocyanate and preparation method and application thereof 万华化学集团股份有限公司 2021-05-14 CN claimed
CN-109776358-A A kind of polyene-based aromatic isocyanate and its preparation method and application 万华化学集团股份有限公司 2019-05-21 CN claimed
CN-109776358-B Polyalkenyl aryl isocyanate and preparation method and application thereof 万华化学集团股份有限公司 2021-05-14 CN disclosed
CN-109776358-A A kind of polyene-based aromatic isocyanate and its preparation method and application 万华化学集团股份有限公司 2019-05-21 CN disclosed