SCHEMBL21737405

SCHEMBL21737405

COc1cc(I)n[nH]1

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
SCHEMBL4266468 0.73
SCHEMBL161724 0.71
SCHEMBL25211464 0.71
Hydrochloric Acid SCHEMBL219321 0.70
SCHEMBL3046045 0.67
SCHEMBL5317023 0.66 HCAR2 (0.58)
SCHEMBL10984763 0.63 GSK3B (0.49)
SCHEMBL16248125 0.62
SCHEMBL14853207 0.62
SCHEMBL25242838 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4640688-A1 AVERMECTIN DERIVATIVE Meiji Seika Pharma Co., Ltd. (JP) 2025-10-29 EP disclosed
WO-2024135828-A1 AVERMECTIN DERIVATIVE Meiji Seikaファルマ株式会社 2024-06-27 WO disclosed
CN-117425661-A Macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2024-01-19 CN disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
CN-115916756-A Sulfone derivative 豪夫迈·罗氏有限公司 2023-04-04 CN disclosed
EP-4153601-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 Vanderbilt University (US) 2023-03-29 EP disclosed
CN-115667273-A Competitive and non-competitive inhibitors of muscarinic acetylcholine receptor M5 范德堡大学 2023-01-31 CN disclosed
WO-2021237038-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY (US) 2021-11-25 WO disclosed
EP-3611165-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed