⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14576611 | 0.79 | PDXK (0.39) | — | |
| SCHEMBL5794503 | 0.77 | PDXK (0.37) | — | |
| SCHEMBL16196324 | 0.77 | PDXK (0.34) | — | |
| SCHEMBL31394665 | 0.74 | PDXK (0.32) | — | |
| SCHEMBL18807882 | 0.73 | CA2 (0.38) | — | |
| SCHEMBL526296 | 0.73 | — | — | |
| SCHEMBL7350671 | 0.72 | DRD4 (0.35) | — | |
| SCHEMBL4527028 | 0.70 | PDCD1 (0.37) | — | |
| SCHEMBL31394614 | 0.70 | — | — | |
| SCHEMBL527546 | 0.70 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3227300-B1 | ALDOSTERONE SYNTHASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2019-06-19 | — | — | EP | disclosed |
| EP-3227300-B1 | ALDOSTERONE SYNTHASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2019-06-19 | — | — | EP | disclosed |
| US-9890171-B2 | Aldosterone synthase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-02-13 | — | — | US | disclosed |
| US-9890171-B2 | Aldosterone synthase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-02-13 | — | — | US | disclosed |
| EP-3227300-A1 | ALDOSTERONE SYNTHASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2017-10-11 | — | — | EP | disclosed |
| US-20170267688-A1 | ALDOSTERONE SYNTHASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-09-21 | — | — | US | disclosed |
| US-20170267688-A1 | ALDOSTERONE SYNTHASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-09-21 | — | — | US | disclosed |
| US-20170267688-A1 | ALDOSTERONE SYNTHASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-09-21 | — | — | US | disclosed |
| WO-2016089800-A1 | ALDOSTERONE SYNTHASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-06-09 | — | — | WO | disclosed |
| WO-2016089800-A1 | ALDOSTERONE SYNTHASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-06-09 | — | — | WO | disclosed |