⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1581890 | 0.88 | — | — | |
| SCHEMBL661753 | 0.88 | — | — | |
| SCHEMBL13065405 | 0.86 | CHRNB2 (0.32) | — | |
| SCHEMBL9690024 | 0.86 | CHRNB2 (0.32) | — | |
| SCHEMBL5245447 | 0.84 | CHRNB2 (0.35) | — | |
| SCHEMBL1778320 | 0.82 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL9607917 | 0.80 | CYP1A2 (0.39) | — | |
| SCHEMBL13804058 | 0.78 | CYP1A2 (0.43) | — | |
| SCHEMBL14602899 | 0.78 | CHRNB2 (0.36) | — | |
| SCHEMBL13327433 | 0.75 | ALDH1A1 (0.33) | — |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024057013-A1 | NLRP3 MODULATORS | EXSCIENTIA AI LIMITED (GB) | 2024-03-21 | — | — | WO | disclosed |
| EP-3475262-B1 | BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASE, CARDIOVASCULAR DISEASES AND FIBROTIC DISORDERS | BOEHRINGER INGELHEIM INT (DE) | 2021-03-24 | — | — | EP | disclosed |
| US-10858342-B2 | Bicyclic imidazole derivatives useful for the treatment of renal diseases, cardiovascular diseases and fibrotic diseases | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-12-08 | — | — | US | disclosed |
| US-20200109131-A1 | BICYCLIC IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF RENAL DISEASES, CARDIOVASCULAR DISEASES AND FIBROTIC DISEASES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-04-09 | — | — | US | disclosed |
| EP-3475262-A1 | BICYCLIC IMIDAZOLE DERIVATIES USEFUL FOR THE TREATMENT OF RENAL DISEASE, CARDIOVASCULAR DISEASES AND FIBROTIC DISORDERS | Boehringer Ingelheim International GmbH (DE) | 2019-05-01 | — | — | EP | disclosed |
| US-20180179142-A1 | Novel process for the preparation of spiro[2.5]octane-5,7-dione and spiro[3.5]nonane-6,8-dione | BOEHRINGER INGELHEIM INT (DE) | 2018-06-28 | — | — | US | disclosed |
| EP-2760868-B1 | FURO[3,4-C]QUINOLINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION | BOEHRINGER INGELHEIM INT (DE) | 2018-04-25 | — | — | EP | disclosed |
| EP-2760868-B1 | FURO[3,4-C]QUINOLINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION | BOEHRINGER INGELHEIM INT (DE) | 2018-04-25 | — | — | EP | disclosed |
| US-9938228-B2 | Process for the preparation of spiro[2.5]octane-5,7-dione and spiro[3.5]nonane-6,8-dione | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-04-10 | — | — | US | disclosed |
| WO-2018005177-A1 | BICYCLIC IMIDAZOLE DERIVATIES USEFUL FOR THE TREATMENT OF RENAL DISEASE, CARDIOVASCULAR DISEASES AND FIBROTIC DISORDERS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-01-04 | — | — | WO | disclosed |
| US-20110130445-A1 | SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-06-02 | — | — | US | disclosed |
| US-20100292128-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2010-11-18 | — | — | US | disclosed |
| US-20100292128-A1 | Organic Compounds | GIVAUDAN SA (CH) | 2010-11-18 | — | — | US | disclosed |
| EP-2167621-A1 | ORGANIC COMPOUNDS | Givaudan SA (CH) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008151455-A1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2008-12-18 | — | — | WO | disclosed |
| US-20080194609-A1 | Chemical Compound and Its Use | BAYER HEATHCARE AG (DE) | 2008-08-14 | — | — | US | disclosed |
| US-20080194609-A1 | Chemical Compound and Its Use | BAYER HEATHCARE AG (DE) | 2008-08-14 | — | — | US | disclosed |
| US-20080194609-A1 | Chemical Compound and Its Use | BAYER HEATHCARE AG (DE) | 2008-08-14 | — | — | US | disclosed |
| EP-1828136-A1 | (5S) -3-[(S)-FLUORO (4-TRIFLUOROMETHYLPHENYL) METHYL]-5,6,7,8-TETRAHYDROQUINOLINE-5-OL DERIVATIVES AND USE THEREOF AS CETP INHIBITORS | Bayer HealthCare AG (DE) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006072362-A1 | (5S) -3-[(S)-FLUORO (4-TRIFLUOROMETHYLPHENYL) METHYL]-5,6,7,8-TETRAHYDROQUINOLINE-5-OL DERIVATIVES AND USE THEREOF AS CETP INHIBITORS | BAYER HEALTHCARE AG (DE) | 2006-07-13 | — | — | WO | disclosed |