⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28871 | 0.83 | HDAC8 (0.59) | — | |
| Ammonia Solution, Strong SCHEMBL22721248 | 0.79 | HDAC8 (0.56) | — | |
| SCHEMBL10481152 | 0.79 | HDAC8 (0.56) | — | |
| SCHEMBL2812465 | 0.75 | — | — | |
| SCHEMBL1306534 | 0.73 | HDAC8 (0.50) | — | |
| SCHEMBL139848 | 0.73 | HDAC8 (0.50) | — | |
| SCHEMBL139611 | 0.73 | HDAC8 (0.50) | — | |
| Water SCHEMBL11190539 | 0.71 | HDAC8 (0.48) | — | |
| SCHEMBL10481156 | 0.71 | HDAC8 (0.48) | — | |
| SCHEMBL716989 | 0.69 | TSHR (0.43) | — |
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-2007129183-A2 | BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS | PFIZER PRODUCTS INC. (US) | 2007-11-15 | — | — | WO | disclosed |