⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16629066 | 0.69 | — | — | |
| SCHEMBL8892931 | 0.66 | HTR2A (0.41) | — | |
| SCHEMBL3509200 | 0.65 | — | — | |
| SCHEMBL6679243 | 0.64 | — | — | |
| SCHEMBL303741 | 0.64 | — | — | |
| SCHEMBL8500841 | 0.62 | — | — | |
| SCHEMBL8498679 | 0.62 | — | — | |
| SCHEMBL19140044 | 0.61 | — | — | |
| SCHEMBL17953038 | 0.61 | — | — | |
| SCHEMBL10715181 | 0.60 | — | — |
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-5935981-A | INSECTICIDAL/MITICIDAL ACTIVITY | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-08-10 | — | — | US | disclosed |
| US-5849768-A | α-unsaturated amines, their production and use | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1998-12-15 | — | — | US | disclosed |