⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9861192 | 0.77 | — | — | |
| SCHEMBL10819074 | 0.64 | — | — | |
| SCHEMBL9508432 | 0.64 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL11800141 | 0.63 | — | — | |
| SCHEMBL9019403 | 0.61 | — | — | |
| SCHEMBL9258228 | 0.61 | — | — | |
| SCHEMBL9861821 | 0.61 | — | — | |
| SCHEMBL882459 | 0.61 | — | — | |
| SCHEMBL15093135 | 0.61 | — | — | |
| SCHEMBL10814241 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0285324-B1 | PREPARATION OF SUBSTITUTED FLUOROBENZENES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1991-11-27 | — | — | EP | disclosed |
| EP-0285324-A1 | Preparation of substituted fluorobenzenes | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-10-05 | — | — | EP | disclosed |
| US-4754084-A | PYROLYSIS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-06-28 | — | — | US | disclosed |