⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6559706 | 0.93 | TSHR (0.50) | — | |
| SCHEMBL27737580 | 0.89 | TSHR (0.46) | — | |
| SCHEMBL873507 | 0.88 | TSHR (0.50) | — | |
| SCHEMBL1055586 | 0.88 | TSHR (0.50) | — | |
| SCHEMBL1051503 | 0.88 | TSHR (0.50) | — | |
| SCHEMBL11170830 | 0.88 | TSHR (0.50) | — | |
| Hydrochloric Acid SCHEMBL27758358 | 0.87 | TSHR (0.44) | — | |
| SCHEMBL14878247 | 0.87 | TSHR (0.44) | — | |
| Hydrochloric Acid SCHEMBL28284488 | 0.86 | TSHR (0.48) | — | |
| SCHEMBL463214 | 0.84 | TSHR (0.46) | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022250170-A9 | SMALL MOLECULE INHIBITORS OF KRAS MUTATED PROTEINS | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 2023-01-05 | — | — | WO | disclosed |
| EP-3601284-A1 | NAPHTHYRIDINES AS INHIBITORS OF HPK1 | H. Hoffnabb-La Roche Ag (CH) | 2020-02-05 | — | — | EP | disclosed |
| WO-2018183956-A1 | NAPHTHYRIDINES AS INHIBITORS OF HPK1 | GENENTECH, INC. (US) | 2018-10-04 | — | — | WO | disclosed |
| WO-2017191098-A1 | PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2017-11-09 | — | — | WO | disclosed |
| US-20120040975-A1 | BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF | MERCK SHARP & DOHME CORP. | 2012-02-16 | — | — | US | disclosed |
| WO-2010149684-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-12-29 | — | — | WO | disclosed |
| US-7645786-B2 | 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days | PFIZER INC. (US) | 2010-01-12 | — | — | US | disclosed |
| US-7449447-B2 | Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION (US) | 2008-11-11 | — | — | US | disclosed |
| US-20070149550-A1 | 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days | PFIZER INC. (US) | 2007-06-28 | — | — | US | disclosed |
| US-20070078150-A1 | Substituted pyrindinyl and pyrimidinyl derivatives as modulators of metabolism and the treatment of disorders related thereto | ARENA PHARMACEUTICALS, INC. (US) | 2007-04-05 | — | — | US | disclosed |
| EP-0972525-A1 | PREVENTIVES AND REMEDIES FOR HYPERPHOSPHATEMIA | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-01-19 | — | — | EP | disclosed |
| US-5981576-A | (Methylsulfonyl)phenyl-2-(5H)-furanones as COX-2 inhibitors | MERCK FROSST CANADA, INC. (CA) | 1999-11-09 | — | — | US | disclosed |
| EP-0904269-A1 | 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1999-03-31 | — | — | EP | disclosed |
| EP-0900796-A1 | PREVENTIVES AND REMEDIES FOR ISCHEMIC INTESTINAL LESION AND ILEUS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1999-03-10 | — | — | EP | disclosed |
| EP-0863891-A1 | (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1998-09-16 | — | — | EP | disclosed |
| US-5773530-A | USEFUL AS PSYCHOSTIMULANTS, ANTIHYPERTENSIVE AGENTS AND REMEDIES FOR RENAL FAILURE, DIURETICS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-06-30 | — | — | US | disclosed |
| WO-1997016435-A1 | 3,4-DIARYL-2-HYDROXY-2,5-DIHYDROFURANS AS PRODRUGS TO COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-05-09 | — | — | WO | disclosed |
| WO-1997014691-A1 | (METHYLSULFONYL)PHENYL-2-(5H)-FURANONES AS COX-2 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 1997-04-24 | — | — | WO | disclosed |
| EP-0737193-A1 | PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-10-16 | — | — | EP | disclosed |
| WO-1995018128-A1 | PYRAZOLOPYRIDINE ADENOSINE ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1995-07-06 | — | — | WO | disclosed |