⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28034738 | 0.85 | — | — | |
| SCHEMBL28034764 | 0.83 | ACHE (0.32) | — | |
| SCHEMBL28035335 | 0.82 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL28035297 | 0.81 | — | — | |
| SCHEMBL28293245 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL28035298 | 0.77 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL28046351 | 0.72 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL27887431 | 0.68 | — | — | |
| SCHEMBL14690922 | 0.67 | — | — | |
| SCHEMBL27852084 | 0.67 | EPHX1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104981155-A | Pesticidal compositions and methods related thereto | DOW AGROSCIENCES LLC | 2015-10-14 | — | — | CN | disclosed |