⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17064232 | 0.97 | FFAR3 (0.36) | — | |
| SCHEMBL10532998 | 0.88 | CYP2C19 (0.35) | — | |
| SCHEMBL3140773 | 0.78 | — | — | |
| SCHEMBL2413820 | 0.76 | — | — | |
| SCHEMBL1110989 | 0.74 | GRM1 (0.48) | — | |
| SCHEMBL22034607 | 0.74 | — | — | |
| SCHEMBL9723832 | 0.74 | FFAR3 (0.38) | — | |
| SCHEMBL21326835 | 0.74 | — | — | |
| SCHEMBL15114661 | 0.74 | — | — | |
| SCHEMBL3195355 | 0.74 | GRM1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2606038-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012024373-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-02-23 | — | — | WO | disclosed |
| WO-2009067547-A1 | POLO-LIKE KINASE INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-05-28 | — | — | WO | disclosed |