⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5482009 | 0.78 | — | — | |
| SCHEMBL12779100 | 0.78 | — | — | |
| SCHEMBL5147416 | 0.78 | — | — | |
| SCHEMBL12778560 | 0.78 | — | — | |
| SCHEMBL1527654 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL17037469 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL11406764 | 0.74 | — | — | |
| SCHEMBL17037470 | 0.74 | TSHR (0.33) | — | |
| Acetonitrile SCHEMBL27696067 | 0.72 | — | — | |
| SCHEMBL17751175 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6362166-B1 | PROTEASE INHIBITOR | AGOURON PHARMACEUTICALS, INC. | 2002-03-26 | — | — | US | disclosed |
| US-6214799-B1 | UNSATURATED AMIDE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. | 2001-04-10 | — | — | US | disclosed |