⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27597967 | 0.87 | — | — | |
| SCHEMBL963750 | 0.85 | — | — | |
| SCHEMBL10986023 | 0.78 | — | — | |
| SCHEMBL843874 | 0.77 | — | — | |
| SCHEMBL23754341 | 0.75 | — | — | |
| SCHEMBL777224 | 0.75 | — | — | |
| SCHEMBL10897292 | 0.75 | — | — | |
| SCHEMBL645705 | 0.75 | — | — | |
| SCHEMBL23754340 | 0.75 | — | — | |
| SCHEMBL19024102 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111247141-B | Epoxy-oxetane compound, method for synthesizing the same, and use of the compound | 四国化成工业株式会社 | 2023-12-29 | — | — | CN | disclosed |
| CN-111247141-A | Epoxy-oxetane compound, method for synthesizing same, and use of same | 四国化成工业株式会社 | 2020-06-05 | — | — | CN | disclosed |
| EP-0000722-A1 | Process for the preparation of polyurethanes containing arylsulfonic acid alkyl ester groups | BAYER AG (DE) | 1979-02-21 | — | — | EP | disclosed |