⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1857138 | 0.87 | TSHR (0.68) | — | |
| SCHEMBL23478140 | 0.81 | TSHR (0.65) | — | |
| SCHEMBL13744495 | 0.79 | TSHR (0.52) | — | |
| SCHEMBL4814439 | 0.79 | — | — | |
| SCHEMBL3187649 | 0.79 | — | — | |
| SCHEMBL310766 | 0.79 | — | — | |
| SCHEMBL227856 | 0.79 | — | — | |
| SCHEMBL16882047 | 0.78 | TSHR (0.47) | — | |
| SCHEMBL458044 | 0.77 | — | — | |
| SCHEMBL5808076 | 0.77 | — | — |
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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115504973-A | Benzisoxazole compound, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2022-12-23 | — | — | CN | claimed |
| CN-115466251-A | Fused heterocyclic compound, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2022-12-13 | — | — | CN | claimed |
| CN-114591318-A | Pyrazolo heterocyclic compound, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2022-06-07 | — | — | CN | claimed |
| CN-114507243-A | Isothiazole heterocyclic compound, preparation method thereof, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-05-17 | — | — | CN | claimed |
| CN-114507227-A | Benzisothiazole compound, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2022-05-17 | — | — | CN | claimed |
| US-8785443-B2 | Methods of using prodrugs of methyl hydrogen fumarate and pharmaceutical compositions thereof | XENOPORT, INC. (US) | 2014-07-22 | — | — | US | claimed |
| US-20100228027-A1 | NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) | CHOONGWAE PHARMA CORPORATION (KR) | 2010-09-09 | — | — | US | claimed |
| EP-2212328-A2 | NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) | Choongwae Pharma Corporation (KR) | 2010-08-04 | — | — | EP | claimed |
| US-20100048651-A1 | PRODRUGS OF METHYL HYDROGEN FUMARATE, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | XENOPORT, INC. (US) | 2010-02-25 | — | — | US | claimed |
| US-20090181958-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-07-16 | — | — | US | claimed |
| WO-2009051398-A2 | NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) | CHOONGWAE PHARMA CORPORATION (KR) | 2009-04-23 | — | — | WO | claimed |
| US-7429597-B2 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) | 2008-09-30 | — | — | US | claimed |
| EP-1583757-A1 | NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS | Boehringer Ingelheim Pharma GmbH & Co.KG (DE) | 2005-10-12 | — | — | EP | claimed |
| US-20040176603-A1 | Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-09-09 | — | — | US | claimed |
| WO-2004058743-A1 | NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-07-15 | — | — | WO | claimed |
| EP-0131374-A1 | Process and intermediates for the preparation of penem derivatives | PFIZER INC. (US) | 1985-01-16 | — | — | EP | claimed |
| US-20240240229-A1 | METHODS OF ADMINISTERING MONOMETHYL FUMARATE AND PRODRUGS THEREOF HAVING REDUCED SIDE EFFECTS | HPS INVESTMENT PARTNERS, LLC, AS ADMINISTRATIVE AGENT | 2024-07-18 | — | — | US | disclosed |
| CN-115504973-A | Benzisoxazole compound, preparation method thereof, pharmaceutical composition and application | 中国医学科学院药物研究所 | 2022-12-23 | — | — | CN | disclosed |
| EP-0196504-A2 | Process for the preparation of (+)antipodes of (E)-1-cyclohexyl-4,4-dimethyl-3-hydroxy-2-(1,2,4-triazol-1-yl)-pent-1-ene | BAYER AG (DE) | 1986-10-08 | — | — | EP | disclosed |
| EP-0131374-A1 | Process and intermediates for the preparation of penem derivatives | PFIZER INC. (US) | 1985-01-16 | — | — | EP | disclosed |