⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL554552 | 0.68 | MAPT (0.46) | — | |
| SCHEMBL8121964 | 0.65 | — | — | |
| SCHEMBL8554584 | 0.65 | CES1 (0.38) | — | |
| SCHEMBL8122389 | 0.65 | CES1 (0.47) | — | |
| SCHEMBL8555842 | 0.63 | KMT2A (0.39) | — | |
| SCHEMBL8556891 | 0.63 | RET (0.37) | — | |
| SCHEMBL5760370 | 0.63 | ROS1 (0.46) | — | |
| SCHEMBL8121209 | 0.63 | GRIN2D (0.35) | — | |
| SCHEMBL3956606 | 0.62 | — | — | |
| SCHEMBL8114811 | 0.62 | TLK2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1178973-A2 | NOVEL COMPOUNDS, THEIR USE AND PREPARATION | Pharmacia AB (SE) | 2002-02-13 | — | — | EP | disclosed |
| WO-2000076984-A2 | NOVEL COMPOUNDS, THEIR USE AND PREPARATION | BIOVITRUM AB (SE) | 2000-12-21 | — | — | WO | disclosed |