⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9886651 | 0.85 | DNM1 (0.36) | — | |
| SCHEMBL10027675 | 0.83 | ODC1 (0.36) | — | |
| SCHEMBL10100188 | 0.81 | ODC1 (0.35) | — | |
| SCHEMBL855058 | 0.80 | — | — | |
| SCHEMBL21788642 | 0.79 | — | — | |
| SCHEMBL24115977 | 0.79 | — | — | |
| SCHEMBL18893471 | 0.78 | DNM1 (0.50) | — | |
| SCHEMBL19927682 | 0.78 | DNM1 (0.47) | — | |
| SCHEMBL4913404 | 0.78 | DNM1 (0.47) | — | |
| SCHEMBL527110 | 0.78 | DNM1 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210340310-A1 | OXAZOLIDINEDIONE-TERMINATED PREPOLYMER | HUNTSMAN INTERNATIONAL LLC | 2021-11-04 | — | — | US | disclosed |