⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25723533 | 0.83 | ALDH1A1 (0.40) | — | |
| SCHEMBL23561136 | 0.82 | ALDH1A1 (0.43) | — | |
| SCHEMBL11844189 | 0.79 | — | — | |
| SCHEMBL673795 | 0.79 | SMN1; SMN2 (0.58) | — | |
| SCHEMBL673657 | 0.79 | SMN1; SMN2 (0.58) | — | |
| SCHEMBL217915 | 0.77 | — | — | |
| SCHEMBL13997163 | 0.76 | ALDH1A1 (0.53) | — | |
| SCHEMBL11841155 | 0.76 | ALDH1A1 (0.53) | — | |
| SCHEMBL12916354 | 0.76 | TSHR (0.40) | — | |
| SCHEMBL673525 | 0.75 | SMN1; SMN2 (0.54) | — |
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-3998808-A | INSECTICIDES, FUNGICIDES | VELSICOL CHEMICAL CORPORATION (US) | 1976-12-21 | — | — | US | disclosed |