⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8088598 | 0.77 | ALDH1A1 (0.40) | — | |
| SCHEMBL9049819 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL8095138 | 0.70 | ALDH1A1 (0.38) | — | |
| SCHEMBL7070853 | 0.68 | — | — | |
| SCHEMBL7041879 | 0.65 | — | — | |
| SCHEMBL8777905 | 0.65 | — | — | |
| SCHEMBL101280 | 0.64 | — | — | |
| SCHEMBL2019340 | 0.64 | TSHR (0.38) | — | |
| SCHEMBL4960926 | 0.64 | ALDH1A1 (0.45) | — | |
| SCHEMBL28206045 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5935979-A | FUNGICIDES FOR USE ON PLANTS | BAYER AKTIENGESELLSCHAFT (DE) | 1999-08-10 | — | — | US | claimed |
| US-5852013-A | Substituted arylazadioxacyclo alkene fungicides | BAYER AKTIENGESELLSCHAFT (DE) | 1998-12-22 | — | — | US | claimed |