⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL264819 | 1.00 | — | — | |
| SCHEMBL5288520 | 1.00 | — | — | |
| SCHEMBL28481241 | 1.00 | — | — | |
| SCHEMBL285719 | 0.78 | — | — | |
| SCHEMBL285720 | 0.78 | — | — | |
| SCHEMBL11778365 | 0.75 | TRPA1 (0.33) | — | |
| SCHEMBL11778368 | 0.75 | TRPA1 (0.33) | — | |
| SCHEMBL8011972 | 0.74 | — | — | |
| SCHEMBL7540613 | 0.74 | — | — | |
| SCHEMBL10600148 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-5009493-A | — | — | None | — | — | JP | disclosed |
| JP-H059493-A | ALDOXIME-CONTAINING PERFUME COMPOSITION | TAKASAGO INTERNATL CORP | 1993-01-19 | — | — | JP | disclosed |
| US-4954633-A | INSECTICIDE INTERMEDIATE | BASF AKTIENGESELLSCHAFT (DE) | 1990-09-04 | — | — | US | disclosed |
| EP-0187345-B1 | SUBSTITUTED FURANES AND THEIR PRECURSORS | BASF Aktiengesellschaft (DE) | 1988-09-21 | — | — | EP | disclosed |
| EP-0187345-A1 | Substituted furanes and their precursors | BASF Aktiengesellschaft (DE) | 1986-07-16 | — | — | EP | disclosed |