SCHEMBL20987249

SCHEMBL20987249

C1=NCC2CONC2=C1

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
SCHEMBL10682123 0.36
SCHEMBL3083556 0.33
SCHEMBL1437284 0.33
SCHEMBL25230433 0.28
SCHEMBL12992748 0.27
SCHEMBL13719381 0.24
Strontium SCHEMBL30515425 0.23
Magnesium SCHEMBL31498282 0.23
SCHEMBL21797 0.23
Hydrogen Sulfide SCHEMBL1489225 0.20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250320213-A1 Nitrogen-Containing Heterocyclic Compounds PFIZER INC. (US) 2025-10-16 US disclosed
CN-113825758-B Crystal forms of anti-HBV tetrahydroisoxazolo [4,3-c ] pyridines 正大天晴药业集团股份有限公司 2023-08-01 CN disclosed
US-11572372-B2 Anti-HBVtetrahydroisoxazolo[4,3-c]pyridine compounds MEDSHINE DISCOVERY INC. (CN) 2023-02-07 US disclosed
US-11572372-B2 Anti-HBVtetrahydroisoxazolo[4,3-c]pyridine compounds MEDSHINE DISCOVERY INC. (CN) 2023-02-07 US disclosed
CN-111247131-B anti-HBV (hepatitis B virus) tetrahydroisoxazolo [4,3-c ] pyridine compounds 正大天晴药业集团股份有限公司 2022-02-18 CN disclosed
CN-111247131-B anti-HBV (hepatitis B virus) tetrahydroisoxazolo [4,3-c ] pyridine compounds 正大天晴药业集团股份有限公司 2022-02-18 CN disclosed
US-20200377517-A1 ANTI-HBVTETRAHYDROISOXAZOLO[4,3-C]PYRIDINE COMPOUNDS MEDSHINE DISCOVERY INC. (CN) 2020-12-03 US disclosed
US-20200377517-A1 ANTI-HBVTETRAHYDROISOXAZOLO[4,3-C]PYRIDINE COMPOUNDS MEDSHINE DISCOVERY INC. (CN) 2020-12-03 US disclosed
WO-2020228745-A1 CRYSTAL FORM OF TETRAHYDROISOXAZOLO[4,3-C]PYRIDINE COMPOUND AGAINST HBV 正大天晴药业集团股份有限公司 2020-11-19 WO disclosed
WO-2020228745-A1 CRYSTAL FORM OF TETRAHYDROISOXAZOLO[4,3-C]PYRIDINE COMPOUND AGAINST HBV 正大天晴药业集团股份有限公司 2020-11-19 WO disclosed
EP-3712139-A1 ANTI-HBV TETRAHYDROISOXAZOLO[4,3-C]PYRIDINE COMPOUNDS Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-09-23 EP disclosed
EP-3712139-A1 ANTI-HBV TETRAHYDROISOXAZOLO[4,3-C]PYRIDINE COMPOUNDS Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2020-09-23 EP disclosed
WO-2019096241-A1 ANTI-HBV TETRAHYDROISOXAZOLO[4,3-C]PYRIDINE COMPOUNDS 正大天晴药业集团股份有限公司 2019-05-23 WO disclosed