SCHEMBL857672

SCHEMBL857672

[c]1ccc2[nH]cnc2n1

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
SCHEMBL14930380 0.65 ALDH1A1 (0.44)
SCHEMBL855045 0.65
SCHEMBL128416 0.65
SCHEMBL41738 0.64
SCHEMBL29371691 0.64
Hydrochloric Acid SCHEMBL4664431 0.62 NUDT1 (0.44)
Iodide SCHEMBL900009 0.62 NUDT1 (0.44)
Hydrochloric Acid SCHEMBL12003889 0.62 NUDT1 (0.44)
SCHEMBL31365934 0.62 NUDT1 (0.44)
Hydrochloric Acid SCHEMBL1813549 0.62 NUDT1 (0.44)

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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN claimed
US-8299107-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORPORATION (US) 2012-10-30 US claimed
US-5444066-A Thioformamide derivatives having hypotensive activity EISAI CO., LTD. (JP) 1995-08-22 US claimed
EP-0609442-A1 THIOFORMAMIDE DERIVATIVE Eisai Co., Ltd. (JP) 1994-08-10 EP claimed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN disclosed
US-20230331725-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2023-10-19 US disclosed
US-11780839-B2 Compounds for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
EP-3969446-B1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2023-09-27 EP disclosed
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed
EP-4219466-A1 COMPUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2023-08-02 EP disclosed
US-20230234942-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2023-07-27 US disclosed
EP-4132923-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2023-02-15 EP disclosed
EP-0708098-B1 Oxime derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1999-03-03 EP disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
US-5606061-A HYPOTENSIVE AGENTS, ANTIASTHMATICS EISAI CO., LTD. (JP) 1997-02-25 US disclosed
EP-0708098-A1 Oxime derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-04-24 EP disclosed
US-5498634-A TREATING HYPERTENSION, ANGINA, ATP-SENSITIVE POTASSIUM CHANNEL AND ASTHMA EISAI CO., LTD. (JP) 1996-03-12 US disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
US-5444066-A Thioformamide derivatives having hypotensive activity EISAI CO., LTD. (JP) 1995-08-22 US disclosed
EP-0609442-A1 THIOFORMAMIDE DERIVATIVE Eisai Co., Ltd. (JP) 1994-08-10 EP disclosed