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SCHEMBL5075250

SCHEMBL5075250

CC1(C)CC(C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)C(CN2CC(C)(C)NC(C)(C)C2=O)N2CC(C)(C)NC(C)(C)C2=O)CC(C)(C)N1

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
SCHEMBL6032248 0.72 — —
SCHEMBL1311877 0.62 TSHR (0.34) —
SCHEMBL1314179 0.62 GAA (0.32) —
SCHEMBL9310634 0.61 — —
SCHEMBL9577083 0.61 GAA (0.30) —
SCHEMBL9577113 0.61 GAA (0.30) —
SCHEMBL6167979 0.60 MEN1 (0.36) —
SCHEMBL76202 0.60 GAA (0.30) —
SCHEMBL12646464 0.59 TSHR (0.33) —
SCHEMBL7195890 0.58 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401940-B1 POLYACETAL MOLDED ARTICLES STABILIZED AGAINST DISCOLORATION CIBA HOLDING INC (CH) 2008-08-13 — — EP disclosed
US-5489635-A STABILIZER AGAINST THERMAL, OXIDATIVE, AND ACTINIC INDUCED DEGRADATION CIBA-GEIGY CORPORATION (US) 1996-02-06 — — US disclosed