⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7207392 | 1.00 | — | — | |
| SCHEMBL8628864 | 0.78 | CYP3A4 (0.31) | — | |
| SCHEMBL11216455 | 0.77 | — | — | |
| SCHEMBL11210149 | 0.75 | — | — | |
| SCHEMBL2043495 | 0.73 | — | — | |
| SCHEMBL11143725 | 0.73 | — | — | |
| SCHEMBL14712119 | 0.73 | — | — | |
| SCHEMBL989776 | 0.73 | — | — | |
| SCHEMBL2043497 | 0.73 | — | — | |
| SCHEMBL27511292 | 0.70 | TSHR (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6613925-B1 | From cyanamide and an orthoacetic acid ester on an industrial scale in a high yield using an inexpensive iron or stainless steel reactor; organic amine alkaline catalyst keeps pH high so water is not a problem and a glass lining is not needed | NIPPON CARBIDE KOGYO K.K. (JP) | 2003-09-02 | — | — | US | claimed |
| US-6613925-B1 | From cyanamide and an orthoacetic acid ester on an industrial scale in a high yield using an inexpensive iron or stainless steel reactor; organic amine alkaline catalyst keeps pH high so water is not a problem and a glass lining is not needed | NIPPON CARBIDE KOGYO K.K. (JP) | 2003-09-02 | — | — | US | disclosed |
| US-6613925-B1 | From cyanamide and an orthoacetic acid ester on an industrial scale in a high yield using an inexpensive iron or stainless steel reactor; organic amine alkaline catalyst keeps pH high so water is not a problem and a glass lining is not needed | NIPPON CARBIDE KOGYO K.K. (JP) | 2003-09-02 | — | — | US | disclosed |