⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2763729 | 0.75 | — | — | |
| SCHEMBL7186248 | 0.73 | — | — | |
| SCHEMBL1130291 | 0.73 | — | — | |
| SCHEMBL8717679 | 0.71 | — | — | |
| SCHEMBL11680124 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL24215336 | 0.69 | — | — | |
| SCHEMBL7915199 | 0.69 | — | — | |
| SCHEMBL10796754 | 0.69 | — | — | |
| SCHEMBL11258410 | 0.69 | — | — | |
| SCHEMBL17073006 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5474998-A | Pesticides | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-12-12 | — | — | US | disclosed |
| EP-0543930-A1 | ARTHROPODICIDAL PYRAZOLINES, PYRAZOLIDINES AND HYDRAZINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-06-02 | — | — | EP | disclosed |
| WO-1992003421-A2 | ARTHROPODICIDAL PYRAZOLINES, PYRAZOLIDINES AND HYDRAZINES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1992-03-05 | — | — | WO | disclosed |