⚠ 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 | |
|---|---|---|---|---|
| Trimethylammonium SCHEMBL284438 | 0.61 | — | — | |
| Trimethylammonium SCHEMBL13989274 | 0.61 | — | — | |
| Trimethylammonium SCHEMBL5310222 | 0.61 | — | — | |
| Trimethylammonium SCHEMBL5582 | 0.61 | — | — | |
| Trimethylammonium SCHEMBL1331060 | 0.61 | — | — | |
| Trimethylammonium SCHEMBL23064767 | 0.55 | — | — | |
| Trimethylammonium SCHEMBL5423733 | 0.55 | — | — | |
| Trimethylammonium SCHEMBL7279677 | 0.55 | — | — | |
| Trimethylammonium SCHEMBL670506 | 0.55 | — | — | |
| Trimethylammonium SCHEMBL7795637 | 0.55 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9974782-B2 | Phosphodiesterase inhibitors and uses thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-05-22 | — | — | US | disclosed |
| US-20170216275-A1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-08-03 | — | — | US | disclosed |
| US-9422242-B2 | Phosphodiesterase inhibitors and uses thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2016-08-23 | — | — | US | disclosed |
| US-20150080394-A1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | COLUMBIA UNIVERSITY (US) | 2015-03-19 | — | — | US | disclosed |
| EP-2379076-B1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | UNIV COLUMBIA (US) | 2014-11-12 | — | — | EP | disclosed |
| US-8697875-B2 | Phosphodiesterase inhibitors and uses thereof | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2014-04-15 | — | — | US | disclosed |
| US-20120076732-A1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2012-03-29 | — | — | US | disclosed |
| EP-2379076-A1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | The Trustees of Columbia University in the City of New York (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010074783-A1 | PHOSPHODIESTERASE INHIBITORS AND USES THEREOF | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2010-07-01 | — | — | WO | disclosed |