⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20291784 | 0.85 | — | — | |
| SCHEMBL14984923 | 0.83 | — | — | |
| SCHEMBL21155259 | 0.78 | — | — | |
| SCHEMBL17995267 | 0.78 | — | — | |
| SCHEMBL7561569 | 0.78 | — | — | |
| SCHEMBL13479373 | 0.78 | — | — | |
| SCHEMBL5420414 | 0.78 | — | — | |
| SCHEMBL708860 | 0.76 | — | — | |
| SCHEMBL19443305 | 0.76 | — | — | |
| SCHEMBL8595879 | 0.76 | — | — |
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-20170190729-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-07-06 | — | — | US | disclosed |
| US-5491263-A | DECYCLIZATION OF AN OXAZOLIDINONE WITH A SECONDARY AMINE OR A SECONDARY ALKANOLAMINE | THE DOW CHEMICAL COMPANY (US) | 1996-02-13 | — | — | US | disclosed |