⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20663172 | 0.79 | — | — | |
| SCHEMBL17813347 | 0.78 | — | — | |
| SCHEMBL22306433 | 0.76 | — | — | |
| SCHEMBL22696020 | 0.73 | — | — | |
| SCHEMBL20347814 | 0.72 | — | — | |
| SCHEMBL7841922 | 0.70 | HDAC1 (0.38) | — | |
| SCHEMBL20862990 | 0.70 | — | — | |
| SCHEMBL14016288 | 0.70 | — | — | |
| SCHEMBL8221349 | 0.68 | — | — | |
| SCHEMBL24722739 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021230151-A1 | METHOD FOR MANUFACTURING POLYURETHANE | 国立大学法人神戸大学 | 2021-11-18 | — | — | WO | disclosed |