⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16908227 | 0.86 | GNAI3 (0.58) | — | |
| SCHEMBL4679423 | 0.81 | — | — | |
| SCHEMBL12574180 | 0.78 | GNAI3 (0.47) | — | |
| SCHEMBL3987516 | 0.78 | — | — | |
| SCHEMBL4579029 | 0.78 | — | — | |
| SCHEMBL3794825 | 0.77 | GNAI3 (0.50) | — | |
| Hydrochloric Acid SCHEMBL2022928 | 0.77 | GNAI3 (0.50) | — | |
| Hydrochloric Acid SCHEMBL2022926 | 0.77 | GNAI3 (0.50) | — | |
| SCHEMBL10050310 | 0.76 | — | — | |
| SCHEMBL103494 | 0.76 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007015824-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2007-02-08 | — | — | WO | disclosed |