⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL446927 | 0.95 | ALDH1A1 (0.33) | — | |
| SCHEMBL16466504 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL25393582 | 0.77 | — | — | |
| SCHEMBL17027551 | 0.77 | — | — | |
| SCHEMBL7661885 | 0.72 | — | — | |
| SCHEMBL27536090 | 0.70 | — | — | |
| SCHEMBL467466 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL22500020 | 0.69 | PNMT (0.32) | — | |
| SCHEMBL19094737 | 0.63 | — | — | |
| SCHEMBL16632235 | 0.62 | CHRM2 (0.34) | — |
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 137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022128850-A1 | NOVEL ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES | GALAPAGOS NV (BE) | 2022-06-23 | — | — | WO | disclosed |
| WO-2022008383-A1 | ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES | GALAPAGOS NV (BE) | 2022-01-13 | — | — | WO | disclosed |
| WO-2020123250-A1 | CANNABINOID DERIVATIVES AND METHODS FOR THEIR PREPARATION | HEANEY JOHN (US) | 2020-06-18 | — | — | WO | disclosed |
| US-20200179330-A1 | CANNABINOID DERIVATIVES AND METHODS FOR THEIR PREPARATION | HEANEY JOHN (US) | 2020-06-11 | — | — | US | disclosed |
| US-20150150819-A1 | COMPOSITIONS CONTAINING OPIOID ANTAGONISTS | MERCK SHARP & DOHME CORP. | 2015-06-04 | — | — | US | disclosed |
| US-20150126554-A1 | METHODS OF PREVENTING AND TREATING GASTROINTESTINAL DYSFUNCTION | ADOLOR CORPORATION | 2015-05-07 | — | — | US | disclosed |
| US-8946262-B2 | Methods of preventing and treating gastrointestinal dysfunction | ADOLOR CORPORATION (US) | 2015-02-03 | — | — | US | disclosed |
| US-8895560-B2 | Opioid antagonists | ADOLOR CORPORATION (US) | 2014-11-25 | — | — | US | disclosed |
| US-20140303211-A1 | COMPOSITIONS CONTAINING OPIOID ANTAGONISTS | MERCK SHARP & DOHME CORP. | 2014-10-09 | — | — | US | disclosed |
| US-20140186951-A1 | NOVEL OPIOID ANTAGONISTS | ADOLOR CORPORATION (US) | 2014-07-03 | — | — | US | disclosed |
| US-20050054630-A1 | Fused bicyclic carboxamide derivatives and methods of their use | CUBIST PHARMACEUTICALS, INC. | 2005-03-10 | — | — | US | disclosed |
| US-6852713-B2 | Lactam derivatives and methods of their use | ADOLOR CORPORATION (US) | 2005-02-08 | — | — | US | disclosed |
| WO-2005004796-A2 | SULFONYLAMINO PHENYLACETAMIDE DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2005-01-20 | — | — | WO | disclosed |
| WO-2004112704-A2 | SUBSTITUTED PIPERIDINE COMPOUNDS AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2004-12-29 | — | — | WO | disclosed |
| US-20040254218-A1 | Substituted piperidine compounds and methods of their use | CUBIST PHARMACEUTICALS, INC. | 2004-12-16 | — | — | US | disclosed |
| US-20040254156-A1 | Sulfonylamino phenylacetamide derivatives and methods of their use | CALIXA THERAPEUTICS, INC. | 2004-12-16 | — | — | US | disclosed |
| WO-2004093796-A2 | LACTAM DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2004-11-04 | — | — | WO | disclosed |
| US-20040209857-A1 | Lactam derivatives and methods of their use | ADOLOR CORPORATION | 2004-10-21 | — | — | US | disclosed |
| WO-2004082623-A2 | SUBSTITUTED PIPERIDINE COMPOUNDS | ADOLOR CORPORATION (US) | 2004-09-30 | — | — | WO | disclosed |
| US-20040186135-A1 | Substituted piperidine compounds | CUBIST PHARMACEUTICALS, INC. | 2004-09-23 | — | — | US | disclosed |