⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18780120 | 0.92 | ALDH1A1 (0.32) | — | |
| SCHEMBL18516799 | 0.90 | — | — | |
| SCHEMBL25933489 | 0.87 | — | — | |
| SCHEMBL23398046 | 0.86 | — | — | |
| SCHEMBL25697783 | 0.86 | — | — | |
| SCHEMBL18401458 | 0.86 | — | — | |
| SCHEMBL21265849 | 0.86 | — | — | |
| SCHEMBL24145288 | 0.86 | — | — | |
| SCHEMBL18401298 | 0.86 | — | — | |
| SCHEMBL26032840 | 0.84 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170157104-A1 | Anti-Viral Compounds | ABBVIE INC. (US) | 2017-06-08 | — | — | US | disclosed |
| US-9586978-B2 | Anti-viral compounds | ABBVIE INC. (US) | 2017-03-07 | — | — | US | disclosed |
| US-9550000-B2 | Compositions, methods, and systems for the synthesis and use of imaging agents | LANTHEUS MEDICAL IMAGING, INC. (US) | 2017-01-24 | — | — | US | disclosed |