⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1717671 | 0.72 | TSHR (0.39) | — | |
| SCHEMBL2811525 | 0.69 | TSHR (0.40) | — | |
| SCHEMBL21332317 | 0.69 | — | — | |
| SCHEMBL233065 | 0.69 | — | — | |
| SCHEMBL23058 | 0.69 | — | — | |
| SCHEMBL386001 | 0.67 | LMNA (0.46) | — | |
| SCHEMBL23567445 | 0.67 | — | — | |
| SCHEMBL7870996 | 0.67 | — | — | |
| SCHEMBL277735 | 0.67 | — | — | |
| SCHEMBL12216596 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230250218-A1 | URETHANE COMPOSITION | NITTO KASEI CO., LTD. (JP) | 2023-08-10 | — | — | US | disclosed |
| EP-4198068-A1 | URETHANE COMPOSITION | Nitto Kasei Co., Ltd. (JP) | 2023-06-21 | — | — | EP | disclosed |
| CN-116018365-A | Carbamate composition | 日东化成株式会社 | 2023-04-25 | — | — | CN | disclosed |
| WO-2004044055-A2 | SILICONE RUBBER COMPOSITION | DOW CORNING TORAY SILICONE CO., LTD. (JP) | 2004-05-27 | — | — | WO | disclosed |