⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL431296 | 0.97 | — | — | |
| SCHEMBL19571066 | 0.97 | — | — | |
| SCHEMBL15001235 | 0.97 | — | — | |
| SCHEMBL18867848 | 0.81 | — | — | |
| SCHEMBL16877083 | 0.81 | — | — | |
| SCHEMBL16161459 | 0.71 | CHRM1 (0.40) | — | |
| SCHEMBL9943079 | 0.70 | — | — | |
| SCHEMBL14304323 | 0.70 | — | — | |
| SCHEMBL13271078 | 0.70 | — | — | |
| SCHEMBL13076880 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9751876-B2 | Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension | NOVARTIS AG (CH) | 2017-09-05 | — | — | US | disclosed |
| EP-2751108-B1 | BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION | NOVARTIS AG (CH) | 2016-04-27 | — | — | EP | disclosed |
| US-20150025059-A1 | BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION | NOVARTIS AG (CH) | 2015-01-22 | — | — | US | disclosed |
| US-8883819-B2 | Bicyclic heterocycle derivatives for the treatment of pulmonary arterial hypertension | IRM LLC (BM) | 2014-11-11 | — | — | US | disclosed |
| EP-2751108-A1 | BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION | Novartis AG (CH) | 2014-07-09 | — | — | EP | disclosed |
| US-20130237519-A1 | BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2013-09-12 | — | — | US | disclosed |
| WO-2013030802-A1 | BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION | NOVARTIS AG (CH) | 2013-03-07 | — | — | WO | disclosed |