⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14515533 | 0.93 | — | — | |
| SCHEMBL14515193 | 0.93 | — | — | |
| SCHEMBL20362571 | 0.93 | — | — | |
| SCHEMBL18588939 | 0.93 | — | — | |
| SCHEMBL5605862 | 0.93 | — | — | |
| SCHEMBL14515532 | 0.93 | — | — | |
| SCHEMBL20362572 | 0.93 | — | — | |
| SCHEMBL20145332 | 0.90 | — | — | |
| Phosphine SCHEMBL27616984 | 0.90 | — | — | |
| Methyl Alcohol SCHEMBL9064110 | 0.83 | TRPA1 (0.33) | — |
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-5750805-A | Rearrangement of epoxides | THE UNIVERSITY OF READING (GB) | 1998-05-12 | — | — | US | disclosed |
| EP-0750600-A1 | REARRANGEMENT OF EPOXIDES | THE UNIVERSITY OF READING (GB) | 1997-01-02 | — | — | EP | disclosed |
| WO-1995025079-A1 | REARRANGEMENT OF EPOXIDES | THE UNIVERSITY OF READING (GB) | 1995-09-21 | — | — | WO | disclosed |