SCHEMBL29989226

SCHEMBL29989226

[2H]/C(=N\[S@+]([O-])C(C)(C)C)c1cc2cnn(CC(F)(F)F)c2cn1

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
SCHEMBL29988741 0.89 — —
SCHEMBL30567602 0.82 — —
SCHEMBL29988593 0.82 — —
SCHEMBL29989014 0.77 — —
SCHEMBL29989067 0.76 HTT (0.30) —
SCHEMBL30567630 0.76 HTT (0.30) —
SCHEMBL29989128 0.74 POLB (0.33) —
SCHEMBL29268201 0.74 POLB (0.33) —
SCHEMBL29268198 0.74 POLB (0.33) —
SCHEMBL29989551 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
WO-2024081653-A2 METHODS OF LOWERING MIRO2 TO TREAT NEURODEGENERATIVE DISEASES ACUREX BIOSCIENCES CORPORATION (US) 2024-04-18 — — WO disclosed
EP-4301759-A2 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF The Board of Trustees of the Leland Stanford Junior University (US) 2024-01-10 — — EP disclosed
WO-2022216386-A9 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-12-01 — — WO disclosed
WO-2022216386-A2 T-TYPE CALCIUM CHANNEL ANTAGONISTS AND USES THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2022-10-13 — — WO disclosed
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