⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15267346 | 0.94 | SCN9A (0.30) | — | |
| SCHEMBL11991646 | 0.85 | DHODH (0.33) | — | |
| SCHEMBL11991527 | 0.81 | PTGER1 (0.31) | — | |
| SCHEMBL12911173 | 0.80 | GPR183 (0.32) | — | |
| SCHEMBL13815447 | 0.76 | DHODH (0.34) | — | |
| SCHEMBL11991526 | 0.75 | HSD17B10 (0.30) | — | |
| SCHEMBL13044759 | 0.74 | HDAC8 (0.34) | — | |
| SCHEMBL11991617 | 0.73 | DHODH (0.34) | — | |
| SCHEMBL11991637 | 0.73 | — | — | |
| SCHEMBL11991496 | 0.71 | P2RY1 (0.34) | — |
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-20120214783-A1 | VIRAL POLYMERASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-23 | — | — | US | disclosed |
| US-20120214783-A1 | VIRAL POLYMERASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-23 | — | — | US | disclosed |