SCHEMBL30691702

SCHEMBL30691702

COCOc1cc(Cl)nc2c(Cl)c([C@H]3CC=CC[C@@H]3[N+](=O)[O-])sc12

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
SCHEMBL30691701 0.83 — —
SCHEMBL30691642 0.72 VCP (0.32) —
SCHEMBL30691607 0.69 ALDH1A1 (0.33) —
SCHEMBL16520421 0.66 ALDH1A1 (0.34) —
SCHEMBL30691590 0.62 NQO2 (0.31) —
SCHEMBL30691497 0.62 KDM1A (0.39) —
SCHEMBL16506980 0.61 MAOB (0.39) —
SCHEMBL30691832 0.61 DPP4 (0.33) —
SCHEMBL30691707 0.59 KDM1A (0.33) —
SCHEMBL10652331 0.56 KMT2A (0.36) —

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
US-20250382305-A1 COMPOUNDS FOR TREATING SPINOCEREBELLAR ATAXIA TYPE 3 PTC THERAPEUTICS INC (US) 2025-12-18 — — US disclosed
CN-119997954-A Compounds for the treatment of spinocerebellar ataxia type 3 PTC医疗公司 2025-05-13 — — CN disclosed
EP-4543444-A1 COMPOUNDS FOR TREATING SPINOCEREBELLAR ATAXIA TYPE 3 PTC Therapeutics, Inc. (US) 2025-04-30 — — EP disclosed
WO-2023250316-A1 COMPOUNDS FOR TREATING SPINOCEREBELLAR ATAXIA TYPE 3 PTC THERAPEUTICS, INC. (US) 2023-12-28 — — WO disclosed
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