⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8967123 | 0.93 | SLC6A4 (0.32) | — | |
| SCHEMBL9452367 | 0.93 | SLC6A4 (0.32) | — | |
| SCHEMBL8967135 | 0.92 | — | — | |
| SCHEMBL8967355 | 0.83 | SLC6A4 (0.32) | — | |
| SCHEMBL8967137 | 0.80 | SLC6A2 (0.30) | — | |
| SCHEMBL8967546 | 0.79 | SLC6A3 (0.36) | — | |
| SCHEMBL8967154 | 0.79 | SLC6A3 (0.36) | — | |
| SCHEMBL8967163 | 0.79 | SLC6A3 (0.36) | — | |
| SCHEMBL8967152 | 0.79 | SLC6A3 (0.36) | — | |
| SCHEMBL9580493 | 0.75 | HPGD (0.41) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0553081-B1 | PESTICIDES | ROUSSEL UCLAF (FR) | 1996-02-28 | — | — | EP | claimed |
| EP-0553081-B1 | PESTICIDES | ROUSSEL UCLAF (FR) | 1996-02-28 | — | — | EP | disclosed |
| US-5326755-A | Contain cyclopropane ring | ROUSSEL UCLAF | 1994-07-05 | — | — | US | disclosed |
| EP-0553081-A1 | PESTICIDES. | ROUSSEL UCLAF (FR) | 1993-08-04 | — | — | EP | disclosed |
| WO-1991016301-A1 | PESTICIDES | THE WELLCOME FOUNDATION LIMITED (GB) | 1991-10-31 | — | — | WO | disclosed |