⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19299909 | 0.92 | ADRB2 (0.30) | — | |
| SCHEMBL18072963 | 0.92 | ALDH1A1 (0.32) | — | |
| SCHEMBL19283505 | 0.91 | MAPT (0.37) | — | |
| SCHEMBL19299808 | 0.89 | ALDH1A1 (0.33) | — | |
| SCHEMBL19299806 | 0.84 | MAPT (0.36) | — | |
| SCHEMBL20547457 | 0.83 | GRIN1 (0.30) | — | |
| SCHEMBL29599177 | 0.83 | GRIN1 (0.30) | — | |
| SCHEMBL29581048 | 0.82 | KDM4E (0.30) | — | |
| SCHEMBL21875196 | 0.82 | KDM4E (0.30) | — | |
| SCHEMBL20547461 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017144341-A1 | CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PEST CONTROL AGENTS | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-08-31 | — | — | WO | disclosed |