⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18675799 | 0.90 | — | — | |
| SCHEMBL18675797 | 0.82 | CAT (0.30) | — | |
| SCHEMBL18662390 | 0.82 | CAT (0.30) | — | |
| SCHEMBL18675808 | 0.82 | CAT (0.30) | — | |
| SCHEMBL17286496 | 0.82 | CAT (0.30) | — | |
| SCHEMBL17286489 | 0.82 | — | — | |
| SCHEMBL18675834 | 0.82 | — | — | |
| SCHEMBL17286517 | 0.81 | — | — | |
| SCHEMBL17286485 | 0.81 | CAT (0.43) | — | |
| SCHEMBL17286505 | 0.81 | CAT (0.43) | — |
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-9963467-B2 | Boronic acid derivatives and therapeutic uses thereof | REMPEX PHARMACEUTICALS, INC. (US) | 2018-05-08 | — | — | US | disclosed |
| US-20170088561-A1 | BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF | QPEX BIOPHARMA, INC. | 2017-03-30 | — | — | US | disclosed |