⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7973316 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL31267354 | 0.97 | — | — | |
| SCHEMBL26765798 | 0.74 | — | — | |
| SCHEMBL12527980 | 0.74 | — | — | |
| SCHEMBL19090073 | 0.74 | — | — | |
| SCHEMBL23998069 | 0.74 | — | — | |
| SCHEMBL19090072 | 0.74 | — | — | |
| SCHEMBL19090075 | 0.74 | — | — | |
| SCHEMBL19090074 | 0.74 | — | — | |
| Propylene Oxide SCHEMBL7866490 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8133884-B2 | Compounds for the treatment of hepatitis C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-13 | — | — | US | disclosed |
| WO-2011025690-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2011-03-03 | — | — | WO | disclosed |
| US-20090280083-A1 | Compounds for the Treatment of Hepatitis C | BRISTOL-MYERS SQUIBB COMPANY | 2009-11-12 | — | — | US | disclosed |