⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9692192 | 1.00 | — | — | |
| SCHEMBL13046121 | 0.83 | LGALS3 (0.40) | — | |
| SCHEMBL9130184 | 0.83 | LGALS3 (0.40) | — | |
| SCHEMBL12832615 | 0.82 | LGALS3 (0.50) | — | |
| SCHEMBL9436546 | 0.82 | — | — | |
| SCHEMBL9436545 | 0.82 | — | — | |
| SCHEMBL17708321 | 0.80 | TSHR (0.49) | — | |
| SCHEMBL22022751 | 0.80 | — | — | |
| SCHEMBL29217288 | 0.80 | — | — | |
| SCHEMBL9692504 | 0.80 | LGALS3 (0.41) | — |
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-20170275299-A1 | PREPARATION METHOD FOR BENZOXAZOLEOXAZINE KETONE COMPOUND AND INTERMEDIATE AND CRYSTAL FORM THEREOF | NORTH CHINA PHARMACEUTICAL NEW DRUG R&D CO., LTD. (CN) | 2017-09-28 | — | — | US | disclosed |