⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11760759 | 0.86 | CA2 (0.45) | — | |
| SCHEMBL13287557 | 0.84 | CA2 (0.44) | — | |
| SCHEMBL143441 | 0.80 | — | — | |
| SCHEMBL28775826 | 0.80 | — | — | |
| SCHEMBL13636208 | 0.79 | — | — | |
| SCHEMBL5377086 | 0.79 | — | — | |
| SCHEMBL27437181 | 0.78 | — | — | |
| SCHEMBL541995 | 0.78 | — | — | |
| SCHEMBL10449592 | 0.78 | CA2 (0.47) | — | |
| SCHEMBL27894396 | 0.76 | FOLH1 (0.41) | — |
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-7253164-B2 | Bicyclic compounds and compositions as PDF inhibitors | IRM LLC (BM) | 2007-08-07 | — | — | US | disclosed |
| US-20050197326-A1 | Bicyclic compounds and compostions as PDF inhibitors | IRM LLC | 2005-09-08 | — | — | US | disclosed |