⚠ 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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL27628440 | 0.96 | — | — | |
| Pyrrolidine SCHEMBL2724963 | 0.95 | — | — | |
| Pyrrolidine SCHEMBL8928607 | 0.95 | ALDH1A1 (0.73) | — | |
| Piperidine SCHEMBL11714957 | 0.91 | — | — | |
| Piperidine SCHEMBL10008663 | 0.91 | ALDH1A1 (0.82) | — | |
| Pyrrolidine SCHEMBL5671866 | 0.91 | — | — | |
| Pyrrolidine SCHEMBL413058 | 0.91 | — | — | |
| Ammonia Solution, Strong SCHEMBL29794108 | 0.91 | ALDH1A1 (0.80) | — | |
| Piperidine SCHEMBL11830723 | 0.87 | — | — | |
| Azepane SCHEMBL3654409 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-3041005-A | — | — | None | — | — | JP | disclosed |
| JP-H0341005-A | INSECT-KILLING COMPOSITION FOR AGRICULTURE AND HORTICULTURE | TAKEDA CHEM IND LTD | 1991-02-21 | — | — | JP | disclosed |
| JP-H00341005-A | — | — | 0001-01-01 | — | — | JP | disclosed |