⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9689967 | 0.81 | TSHR (0.41) | — | |
| SCHEMBL9770574 | 0.57 | — | — | |
| Butane SCHEMBL7375120 | 0.57 | — | — | |
| Butane SCHEMBL27358024 | 0.57 | — | — | |
| SCHEMBL49728 | 0.57 | LMNA (0.31) | — | |
| Propionitrile SCHEMBL30191414 | 0.57 | — | — | |
| Butane SCHEMBL5507608 | 0.55 | — | — | |
| Butane SCHEMBL19371508 | 0.55 | CA1 (0.55) | — | |
| Butane SCHEMBL5577989 | 0.55 | — | — | |
| Butane SCHEMBL6577949 | 0.55 | CA1 (0.55) | — |
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-0469432-A1 | Process for the production of cyanohydantoines | MERCK PATENT GmbH (DE) | 1992-02-05 | — | — | EP | disclosed |
| US-3954811-A | PROSTAGLANDIN INTERMEDIATES | SUMITOMO CHEMICAL CO., LTD. (JA) | 1976-05-04 | — | — | US | disclosed |