⚠ 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 | |
|---|---|---|---|---|
| Cyclohexane SCHEMBL21384859 | 0.95 | — | — | |
| SCHEMBL28303935 | 0.85 | — | — | |
| SCHEMBL28935955 | 0.81 | — | — | |
| SCHEMBL113565 | 0.80 | MMP1 (0.32) | — | |
| SCHEMBL28517401 | 0.78 | MMP1 (0.31) | — | |
| SCHEMBL38523 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL9842795 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL9711532 | 0.69 | — | — | |
| SCHEMBL2672389 | 0.68 | — | — | |
| Butane SCHEMBL6520959 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3807229-A1 | PROCESS FOR THE PRODUCTION OF COMPOSITE ARTICLES | Nouryon Chemicals International B.V. (NL) | 2021-04-21 | — | — | EP | claimed |
| WO-2019238555-A1 | PROCESS FOR THE PRODUCTION OF COMPOSITE ARTICLES | NOURYON CHEMICALS INTERNATIONAL B.V. (NL) | 2019-12-19 | — | — | WO | claimed |