⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL679485 | 0.89 | — | — | |
| SCHEMBL15723789 | 0.79 | — | — | |
| SCHEMBL18853756 | 0.79 | — | — | |
| SCHEMBL679546 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL16455040 | 0.74 | — | — | |
| SCHEMBL17811629 | 0.70 | CNR1 (0.30) | — | |
| SCHEMBL685523 | 0.70 | GAA (0.34) | — | |
| SCHEMBL15730208 | 0.68 | — | — | |
| SCHEMBL15206727 | 0.67 | — | — | |
| SCHEMBL4931354 | 0.67 | CNR2 (0.58) | — |
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-20170137405-A1 | COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES, INC. | 2017-05-18 | — | — | US | disclosed |
| US-9540343-B2 | Compounds for the treatment of HIV | GILEAD SCIENCES, INC. (US) | 2017-01-10 | — | — | US | disclosed |
| EP-2729448-B1 | COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES INC (US) | 2015-09-09 | — | — | EP | disclosed |
| US-20140142085-A1 | COMPOUNDS FOR THE TREATMENT OF HIV | GILEAD SCIENCES, INC. (US) | 2014-05-22 | — | — | US | disclosed |
| US-20110288063-A1 | NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS | NAEJA PHARMACEUTICAL INC. (CA) | 2011-11-24 | — | — | US | disclosed |
| US-20110288063-A1 | NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS | NAEJA PHARMACEUTICAL INC. (CA) | 2011-11-24 | — | — | US | disclosed |
| US-20110288063-A1 | NOVEL FUSED BRIDGED BICYCLIC HETEROARYL SUBSTITUTED 6-ALKYLIDENE PENEMS AS POTENT BETA-LACTAMASE INHIBITORS | NAEJA PHARMACEUTICAL INC. (CA) | 2011-11-24 | — | — | US | disclosed |