SCHEMBL31387481

SCHEMBL31387481

CC1CC2(CCN1C(=O)OC(C)(C)C)OCCc1c2sc(C(F)(F)F)c1C=O

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
SCHEMBL26064356 1.00
SCHEMBL25359359 0.88
SCHEMBL26066138 0.88 JAK2 (0.30)
SCHEMBL26062286 0.88 JAK2 (0.30)
SCHEMBL31387257 0.88 JAK2 (0.30)
SCHEMBL26062295 0.88 JAK2 (0.30)
SCHEMBL31387325 0.88 JAK2 (0.30)
SCHEMBL29413758 0.87
SCHEMBL24345802 0.87
SCHEMBL25360469 0.87 ADORA1 (0.33)

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-119343353-A 2-Methyl-4 ',5' -dihydrospiro [ piperidine-4, 7' -thieno [2,3-c ] pyran ] derivatives as APOL1 inhibitors and methods of use thereof 弗特克斯药品有限公司 2025-01-21 CN disclosed