⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21610526 | 0.91 | CYP1A2 (0.31) | — | |
| SCHEMBL21610495 | 0.88 | PIK3CD (0.32) | — | |
| SCHEMBL21610537 | 0.85 | POLB (0.35) | — | |
| SCHEMBL21610560 | 0.85 | POLB (0.31) | — | |
| SCHEMBL23353758 | 0.85 | POLB (0.32) | — | |
| SCHEMBL21610489 | 0.82 | DGAT1 (0.34) | — | |
| SCHEMBL21610557 | 0.79 | POLB (0.33) | — | |
| SCHEMBL21610498 | 0.79 | POLB (0.35) | — | |
| SCHEMBL21610553 | 0.76 | POLB (0.36) | — | |
| SCHEMBL23353551 | 0.75 | ALDH1A1 (0.34) | — |
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-2020002082-A1 | HETEROCYCLENE DERIVATIVES AS PEST CONTROL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2020-01-02 | — | — | WO | disclosed |