⚠ 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 | |
|---|---|---|---|---|
| Phenylboronic Acid SCHEMBL8628436 | 0.73 | ENPP2 (1.00) | — | |
| Phenylboronic Acid SCHEMBL4453 | 0.73 | — | — | |
| Diphenyl Borinic Acid SCHEMBL40601 | 0.73 | TRPV6 (1.00) | — | |
| SCHEMBL29066693 | 0.73 | — | — | |
| Phenylboronic Acid SCHEMBL25231422 | 0.71 | ENPP2 (0.93) | — | |
| Phenylboronic Acid SCHEMBL4446883 | 0.71 | ENPP2 (0.93) | — | |
| Phenylboronic Acid SCHEMBL5621655 | 0.71 | ENPP2 (0.93) | — | |
| Phenylboronic Acid SCHEMBL22683683 | 0.71 | ENPP2 (0.93) | — | |
| Phenylboronic Acid SCHEMBL21820815 | 0.71 | ENPP2 (0.93) | — | |
| Phenylboronic Acid SCHEMBL1123632 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2685984-B1 | TETRACYCLIC XANTHENE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES | MERCK SHARP & DOHME (US) | 2016-11-02 | — | — | EP | disclosed |