⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL135543 | 0.72 | CA12 (0.39) | — | |
| SCHEMBL411287 | 0.69 | — | — | |
| SCHEMBL6656253 | 0.67 | — | — | |
| SCHEMBL28464035 | 0.67 | CA12 (0.30) | — | |
| SCHEMBL10591535 | 0.67 | — | — | |
| SCHEMBL31264309 | 0.67 | CA12 (0.35) | — | |
| SCHEMBL21712510 | 0.67 | — | — | |
| SCHEMBL21867085 | 0.67 | — | — | |
| SCHEMBL31386971 | 0.67 | — | — | |
| SCHEMBL9848098 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-3976769-A | INSECTICIDE | AIRWICK INDUSTRIES, INC. (US) | 1976-08-24 | — | — | US | disclosed |