⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22144375 | 0.73 | TSHR (0.30) | — | |
| SCHEMBL25028393 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL799182 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL77807 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL6855829 | 0.69 | — | — | |
| SCHEMBL21276549 | 0.65 | — | — | |
| SCHEMBL23562888 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL28787316 | 0.64 | LMNA (0.38) | — | |
| SCHEMBL6930148 | 0.63 | — | — | |
| SCHEMBL2294981 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0372816-B1 | NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-07-29 | — | — | EP | disclosed |
| WO-1990006304-A1 | NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-06-14 | — | — | WO | disclosed |
| EP-0372816-A1 | Novel heterocyclic pesticidal compounds | THE WELLCOME FOUNDATION LIMITED (GB) | 1990-06-13 | — | — | EP | disclosed |