⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18079252 | 0.78 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL11572466 | 0.75 | — | — | |
| SCHEMBL27879428 | 0.74 | FDPS (0.48) | — | |
| SCHEMBL11743906 | 0.74 | — | — | |
| SCHEMBL23548888 | 0.73 | — | — | |
| SCHEMBL2582243 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL7753320 | 0.73 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL394632 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL2674699 | 0.72 | — | — | |
| SCHEMBL27691485 | 0.72 | ARG2 (0.35) | — |
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-6919076-B1 | Conjugates of agents and transglutaminase substrate linking molecules | PERICOR SCIENCE, INC. (US) | 2005-07-19 | — | — | US | disclosed |