⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17525832 | 0.70 | — | — | |
| SCHEMBL14007043 | 0.70 | — | — | |
| SCHEMBL24243939 | 0.67 | — | — | |
| SCHEMBL20082738 | 0.67 | — | — | |
| SCHEMBL19192587 | 0.64 | — | — | |
| Methane Boronic Acid SCHEMBL80533 | 0.61 | — | — | |
| SCHEMBL587269 | 0.61 | — | — | |
| Boric Acid SCHEMBL5067672 | 0.60 | — | — | |
| Nitrous Acid SCHEMBL21951230 | 0.57 | — | — | |
| Methane Boronic Acid SCHEMBL934304 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4180431-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2023-05-17 | — | — | EP | disclosed |
| WO-2017096017-A1 | ANTIBODIES SPECIFIC TO GLYCOSYLATED BTLA (B- AND T- LYMPHOCYTE ATTENUATOR) | STSCIENCES, INC. (KR) | 2017-06-08 | — | — | WO | disclosed |
| US-20100063168-A1 | IONOMERS WITH IONOGENIC GROUPS IN THE SIDECHAIN | THOMAS HARING | 2010-03-11 | — | — | US | disclosed |