⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8658018 | 0.69 | — | — | |
| SCHEMBL838160 | 0.60 | — | — | |
| Bicarbonate SCHEMBL29911033 | 0.57 | CA1 (0.39) | — | |
| Bicarbonate SCHEMBL10832174 | 0.53 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL11675233 | 0.53 | CA1 (0.83) | — | |
| SCHEMBL3208731 | 0.52 | TSHR (0.33) | — | |
| Mellitic Acid SCHEMBL23507 | 0.52 | CYP1A2 (0.50) | — | |
| SCHEMBL9635649 | 0.52 | CA1 (0.40) | — | |
| Mellitic Acid SCHEMBL22971 | 0.52 | CYP1A2 (0.50) | — | |
| Mellitic Acid SCHEMBL28758936 | 0.49 | CYP1A2 (0.47) | — |
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-3292878-B1 | APPARATUS FOR VACUUM BRIDGING AND/OR EXUDATE COLLECTION | SMITH & NEPHEW INC (US) | 2024-05-22 | — | — | EP | claimed |