⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4309182 | 0.80 | GPR84 (0.43) | — | |
| SCHEMBL8872211 | 0.80 | GPR84 (0.43) | — | |
| SCHEMBL11648979 | 0.79 | LMNA (0.39) | — | |
| Hydrochloric Acid SCHEMBL28800991 | 0.79 | GPR84 (0.42) | — | |
| Bromide SCHEMBL28432455 | 0.79 | GPR84 (0.42) | — | |
| Hydrochloric Acid SCHEMBL29180437 | 0.79 | GPR84 (0.42) | — | |
| Hydrochloric Acid SCHEMBL15309390 | 0.79 | GPR84 (0.42) | — | |
| SCHEMBL21621507 | 0.78 | — | — | |
| SCHEMBL21235786 | 0.77 | — | — | |
| SCHEMBL29391963 | 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 |
|---|---|---|---|---|---|---|---|
| EP-2177523-A1 | Novel macrocyclic inhibitors of hepatitis c virus replication | Intermune, Inc. (US) | 2010-04-21 | — | — | EP | disclosed |