⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3440828 | 1.00 | ALDH1A1 (0.56) | — | |
| SCHEMBL29573828 | 1.00 | — | — | |
| SCHEMBL49313 | 1.00 | — | — | |
| SCHEMBL28504673 | 0.97 | — | — | |
| SCHEMBL38651119 | 0.97 | — | — | |
| SCHEMBL28681720 | 0.97 | — | — | |
| SCHEMBL31103367 | 0.97 | — | — | |
| SCHEMBL10560599 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL21820164 | 0.97 | — | — | |
| SCHEMBL28429382 | 0.97 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9399645-B2 | Inhibitors of HIV replication | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-07-26 | — | — | US | disclosed |
| US-20150011531-A1 | INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2015-01-08 | — | — | US | disclosed |
| EP-2794613-A1 | CONDENSED TRICLYCLIC COMPOUNDS AS INHIBITORS OF HIV REPLICATION | Boehringer Ingelheim International GmbH (DE) | 2014-10-29 | — | — | EP | disclosed |
| WO-2013091096-A1 | CONDENSED TRICLYCLIC COMPOUNDS AS INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-27 | — | — | WO | disclosed |