⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19339362 | 1.00 | — | — | |
| SCHEMBL9647829 | 0.91 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL9645358 | 0.89 | — | — | |
| SCHEMBL9646871 | 0.88 | — | — | |
| SCHEMBL9647689 | 0.87 | — | — | |
| SCHEMBL9648099 | 0.84 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL9647438 | 0.84 | HTR2A (0.37) | — | |
| SCHEMBL9647429 | 0.84 | HTR2A (0.37) | — | |
| SCHEMBL9647812 | 0.84 | HTR2A (0.37) | — | |
| SCHEMBL9406497 | 0.83 | TSHR (0.30) | — |
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-5102578-A | Electrooptics | HOFFMANN-LA ROCHE INC. (US) | 1992-04-07 | — | — | US | disclosed |