⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4777353 | 0.82 | MAOA (0.37) | — | |
| SCHEMBL4775583 | 0.78 | PDE10A (0.35) | — | |
| SCHEMBL4771469 | 0.77 | TLR9 (0.33) | — | |
| SCHEMBL4778609 | 0.76 | IKBKB (0.33) | — | |
| SCHEMBL4779519 | 0.66 | TLR9 (0.32) | — | |
| SCHEMBL2884264 | 0.65 | CYP11B2 (0.36) | — | |
| SCHEMBL4780752 | 0.64 | NPC1 (0.44) | — | |
| SCHEMBL16147809 | 0.62 | TNK2 (0.46) | — | |
| SCHEMBL14852899 | 0.62 | TNK2 (0.46) | — | |
| SCHEMBL4776654 | 0.62 | PDE10A (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1984332-A2 | METHODS FOR TREATING HEPATITIS C | PTC Therapeutics, Inc. (US) | 2008-10-29 | — | — | EP | disclosed |
| WO-2007084413-A2 | METHODS FOR TREATING HEPATITIS C | PTC THERAPEUTICS, INC. (US) | 2007-07-26 | — | — | WO | disclosed |