⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22007689 | 0.88 | — | — | |
| SCHEMBL22450100 | 0.83 | GRIN1 (0.33) | — | |
| SCHEMBL18868125 | 0.81 | — | — | |
| SCHEMBL14378018 | 0.79 | KMT2A (0.40) | — | |
| SCHEMBL14378056 | 0.79 | NPSR1 (0.34) | — | |
| SCHEMBL14378049 | 0.78 | LMNA (0.33) | — | |
| SCHEMBL14378057 | 0.78 | POLB (0.32) | — | |
| SCHEMBL21133709 | 0.76 | — | — | |
| SCHEMBL21133708 | 0.76 | NPC1 (0.41) | — | |
| SCHEMBL15307690 | 0.75 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10035769-B2 | Quaternary heteroatom containing compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-07-31 | — | — | US | disclosed |
| US-10035769-B2 | Quaternary heteroatom containing compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-07-31 | — | — | US | disclosed |
| US-20170137382-A1 | QUATERNARY HETEROATOM CONTAINING COMPOUNDS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-05-18 | — | — | US | disclosed |
| US-20170137382-A1 | QUATERNARY HETEROATOM CONTAINING COMPOUNDS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-05-18 | — | — | US | disclosed |
| US-8822679-B2 | Quaternary heteroatom containing compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2014-09-02 | — | — | US | disclosed |
| US-8822679-B2 | Quaternary heteroatom containing compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2014-09-02 | — | — | US | disclosed |
| US-20130267699-A1 | QUATERNARY HETEROATOM CONTAINING COMPOUNDS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2013-10-10 | — | — | US | disclosed |
| US-20130267699-A1 | QUATERNARY HETEROATOM CONTAINING COMPOUNDS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2013-10-10 | — | — | US | disclosed |
| US-20130012701-A1 | QUATERNARY HETEROATOM CONTAINING COMPOUNDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2013-01-10 | — | — | US | disclosed |
| US-20130012701-A1 | QUATERNARY HETEROATOM CONTAINING COMPOUNDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2013-01-10 | — | — | US | disclosed |
| WO-2012178129-A2 | QUATERNARY HETEROATOM CONTAINING COMPOUNDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2012-12-27 | — | — | WO | disclosed |