⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL198651 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL17377546 | 0.67 | — | — | |
| SCHEMBL336560 | 0.63 | — | — | |
| SCHEMBL322342 | 0.63 | — | — | |
| SCHEMBL15260289 | 0.63 | — | — | |
| SCHEMBL11089872 | 0.63 | NPC1 (0.41) | — | |
| SCHEMBL15266120 | 0.63 | KDM4E (0.38) | — | |
| SCHEMBL1535168 | 0.63 | — | — | |
| SCHEMBL629463 | 0.63 | ALDH1A1 (0.48) | — | |
| SCHEMBL662800 | 0.63 | KDM4E (0.38) | — |
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-2008057468-A1 | SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION | CURIS, INC. (US) | 2008-05-15 | — | — | WO | disclosed |