⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7816740 | 0.86 | — | — | |
| SCHEMBL8007792 | 0.80 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL7816869 | 0.78 | — | — | |
| SCHEMBL7813333 | 0.77 | — | — | |
| SCHEMBL8009463 | 0.76 | — | — | |
| SCHEMBL8004171 | 0.72 | — | — | |
| SCHEMBL7819403 | 0.72 | — | — | |
| SCHEMBL8007002 | 0.72 | FBP1 (0.32) | — | |
| SCHEMBL7813653 | 0.72 | — | — | |
| SCHEMBL7813707 | 0.70 | — | — |
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-6124463-A | TREATMENT OF AFFECTIVE DISORDER, ANXIETY OR DEPRESSION | DUPONT PHARMACEUTICALS (US) | 2000-09-26 | — | — | US | disclosed |