⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22105 | 0.78 | — | — | |
| SCHEMBL3768143 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL797498 | 0.74 | — | — | |
| SCHEMBL9402771 | 0.74 | TSHR (0.36) | — | |
| SCHEMBL7851077 | 0.74 | — | — | |
| Methane SCHEMBL23927285 | 0.74 | — | — | |
| SCHEMBL16738682 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL220991 | 0.74 | — | — | |
| SCHEMBL3312437 | 0.74 | — | — | |
| Water SCHEMBL1155773 | 0.74 | — | — |
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-20160137666-A1 | SUBSTITUTED CYCLOPENTA[4,5]OXAZOLO[3,2-a]PYRIDO[1,2-d]PYRAZINES AS HIV INTEGRASE INHIBITORS | SHIONOGI & CO., LTD. (JP) | 2016-05-19 | — | — | US | disclosed |
| US-20140200209-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE COMPANY (US) | 2014-07-17 | — | — | US | disclosed |
| US-20130172559-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | VIIV HEALTHCARE COMPANY (US) | 2013-07-04 | — | — | US | disclosed |
| US-20100168424-A1 | FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-07-01 | — | — | US | disclosed |
| US-6313127-B1 | FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS | ZENECA LIMITED (GB) | 2001-11-06 | — | — | US | disclosed |
| EP-0880501-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS | ZENECA LIMITED (GB) | 1998-12-02 | — | — | EP | disclosed |
| WO-1997028128-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS | ZENECA LIMITED (GB) | 1997-08-07 | — | — | WO | disclosed |