⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL318097 | 0.74 | — | — | |
| SCHEMBL13069426 | 0.74 | — | — | |
| SCHEMBL6105865 | 0.74 | — | — | |
| SCHEMBL1653770 | 0.74 | — | — | |
| SCHEMBL360357 | 0.74 | — | — | |
| SCHEMBL31105996 | 0.74 | — | — | |
| SCHEMBL22872095 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL2162845 | 0.72 | NOS3 (0.42) | — | |
| Hydrochloric Acid SCHEMBL27833646 | 0.72 | NOS2 (0.61) | — | |
| SCHEMBL14689378 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1797062-B1 | ALKYNYL BASED DERVATIVES OF BENZOPHENONE AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2011-01-12 | — | — | EP | disclosed |
| US-7300948-B2 | Alkynyl compounds as non nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-11-27 | — | — | US | disclosed |
| US-7300948-B2 | Alkynyl compounds as non nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-11-27 | — | — | US | disclosed |
| WO-2006097340-A1 | 1,7-NAPHTHYRIDINES AS PDE4 INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-09-21 | — | — | WO | disclosed |