⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14832667 | 0.82 | — | — | |
| SCHEMBL5487541 | 0.80 | ANPEP (0.55) | — | |
| SCHEMBL2809137 | 0.76 | — | — | |
| Hexane SCHEMBL11645572 | 0.73 | TSHR (0.47) | — | |
| SCHEMBL1726025 | 0.72 | ANPEP (0.46) | — | |
| SCHEMBL28514987 | 0.72 | — | — | |
| SCHEMBL1418560 | 0.71 | ANPEP (0.43) | — | |
| SCHEMBL907653 | 0.71 | — | — | |
| SCHEMBL10348835 | 0.70 | MEN1 (0.45) | — | |
| SCHEMBL17287861 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11499088-B2 | Boronic hydrate inhibitors | SHELL USA, INC. (US) | 2022-11-15 | — | — | US | claimed |
| US-20200362225-A1 | BORONIC HYDRATE INHIBITORS | SHELL USA, INC. | 2020-11-19 | — | — | US | claimed |
| WO-2019036278-A1 | BORONIC HYDRATE INHIBITORS | SHELL OIL COMPANY (US) | 2019-02-21 | — | — | WO | claimed |
| US-11499088-B2 | Boronic hydrate inhibitors | SHELL USA, INC. (US) | 2022-11-15 | — | — | US | disclosed |
| US-20200362225-A1 | BORONIC HYDRATE INHIBITORS | SHELL USA, INC. | 2020-11-19 | — | — | US | disclosed |
| WO-2019036278-A1 | BORONIC HYDRATE INHIBITORS | SHELL OIL COMPANY (US) | 2019-02-21 | — | — | WO | disclosed |