⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6261262 | 0.88 | — | — | |
| SCHEMBL5608116 | 0.85 | — | — | |
| SCHEMBL73307 | 0.85 | — | — | |
| Water SCHEMBL26127007 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL28456441 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL10572832 | 0.79 | — | — | |
| SCHEMBL10493587 | 0.79 | — | — | |
| SCHEMBL9199117 | 0.77 | — | — | |
| SCHEMBL25276063 | 0.76 | — | — | |
| SCHEMBL12494955 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112204402-B | Methods for enhancing binding and activity prediction based on machine learning and molecular modeling | 斯坦福大学托管董事会 | 2024-05-03 | — | — | CN | disclosed |
| 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 |
| US-20050142485-A1 | Image recording material | FUJI PHOTO FILM CO., LTD. | 2005-06-30 | — | — | US | disclosed |
| US-4867784-A | Cyclohexenone derivatives, preparation thereof and use thereof as herbicidal and plant growth regulator agents | BASF AKTIENGESELLSCHAFT (DE) | 1989-09-19 | — | — | US | disclosed |