⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9927817 | 0.82 | — | — | |
| SCHEMBL9942478 | 0.71 | ENPP1 (0.31) | — | |
| SCHEMBL13971734 | 0.57 | GABRA1 (0.35) | — | |
| SCHEMBL12844273 | 0.57 | PI4KA (0.48) | — | |
| SCHEMBL2324216 | 0.57 | FEN1 (0.30) | — | |
| SCHEMBL9927808 | 0.55 | ENPP1 (0.31) | — | |
| SCHEMBL15680396 | 0.54 | GABRA1 (0.32) | — | |
| SCHEMBL1662409 | 0.54 | NOTUM (0.31) | — | |
| SCHEMBL10699821 | 0.53 | NOS3 (0.33) | — | |
| SCHEMBL1660309 | 0.53 | KDM4E (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120149684-A1 | AKT INHIBITORS | ELI LILLY AND COMPANY (US) | 2012-06-14 | — | — | US | disclosed |