⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL795317 | 0.69 | — | — | |
| Water SCHEMBL9178692 | 0.67 | — | — | |
| SCHEMBL5407698 | 0.65 | — | — | |
| SCHEMBL16889089 | 0.64 | — | — | |
| SCHEMBL21770690 | 0.64 | — | — | |
| SCHEMBL6722216 | 0.64 | — | — | |
| SCHEMBL10585018 | 0.64 | — | — | |
| SCHEMBL22632040 | 0.64 | — | — | |
| SCHEMBL6234114 | 0.63 | — | — | |
| SCHEMBL16647323 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2061772-A2 | MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS | Curis, Inc. (US) | 2009-05-27 | — | — | EP | disclosed |
| US-20080221132-A1 | Multi-Functional Small Molecules as Anti-Proliferative Agents | CURIS, INC. | 2008-09-11 | — | — | US | disclosed |
| WO-2008033747-A9 | MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS | CURIS INC (MA) | 2008-07-24 | — | — | WO | disclosed |
| WO-2008033747-A2 | MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS | CURIS, INC. (US) | 2008-03-20 | — | — | WO | disclosed |