SCHEMBL28545889

SCHEMBL28545889

CO[C@@H]1CO[C@@H]2C(OCCBr)CO[C@@H]21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL22262437 1.00 BCHE (0.31) BCHEALDH1A1
SCHEMBL31267130 0.82 BCHE (0.39) BCHEALDH1A1
SCHEMBL22262566 0.81 JAK2 (0.35) BCHEALDH1A1
SCHEMBL26382257 0.79 BCHE (0.41) BCHEALDH1A1
SCHEMBL17616927 0.78 ALDH1A1 (0.42) BCHEALDH1A1
SCHEMBL22627598 0.78 ALDH1A1 (0.42) BCHEALDH1A1
SCHEMBL17252155 0.78 ALDH1A1 (0.42) BCHEALDH1A1
SCHEMBL20613593 0.78 ALDH1A1 (0.42) BCHEALDH1A1
SCHEMBL17252165 0.78 ALDH1A1 (0.42) BCHEALDH1A1
SCHEMBL14423339 0.78 ALDH1A1 (0.42) BCHEALDH1A1

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
CN-112574236-A RET inhibitor, pharmaceutical composition and application thereof 广东东阳光药业有限公司 2021-03-30 — — CN disclosed
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