⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL367447 | 0.63 | — | — | |
| SCHEMBL564240 | 0.59 | — | — | |
| SCHEMBL23198641 | 0.53 | — | — | |
| SCHEMBL16371132 | 0.53 | — | — | |
| Carbon Dioxide SCHEMBL3120334 | 0.41 | — | — | |
| SCHEMBL2125716 | 0.40 | — | — | |
| Oxirane SCHEMBL1760336 | 0.38 | — | — | |
| SCHEMBL30544872 | 0.38 | — | — | |
| SCHEMBL6809796 | 0.35 | — | — | |
| SCHEMBL8401054 | 0.35 | — | — |
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-20180282374-A1 | ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS | MONASH UNIVERSITY (AU) | 2018-10-04 | — | — | US | claimed |
| CN-101796036-A | 5-Phenylisoxazole-3-carboxamide derivatives as TRPV1 modulators | ORGANON NV | 2010-08-04 | — | — | CN | disclosed |