⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12230325 | 1.00 | — | — | |
| Methyl Phosphonate SCHEMBL10907801 | 0.89 | CHRM1 (0.43) | — | |
| SCHEMBL10892527 | 0.84 | CHRM1 (0.40) | — | |
| SCHEMBL3102172 | 0.80 | — | — | |
| SCHEMBL4289130 | 0.80 | — | — | |
| SCHEMBL15549648 | 0.80 | — | — | |
| SCHEMBL576851 | 0.80 | — | — | |
| SCHEMBL14214372 | 0.80 | — | — | |
| SCHEMBL16072764 | 0.78 | CHRM1 (0.53) | — | |
| SCHEMBL17274557 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107365329-B | A kind of preparation method of 3- methyl -2- oxo -5- heptynyl dimethyl phosphate | 华东师范大学 | 2019-02-01 | — | — | CN | disclosed |
| US-10005753-B2 | Methods for producing beraprost and its derivatives | LUNG BIOTECHNOLOGY PBC (US) | 2018-06-26 | — | — | US | disclosed |
| CN-107365329-A | A kind of preparation method of 3- methyl -2- oxos -5- heptynyl dimethyl phosphates | 华东师范大学 | 2017-11-21 | — | — | CN | disclosed |
| US-20170166545-A1 | METHODS FOR PRODUCING BERAPROST AND ITS DERIVATIVES | LUNG BIOTECHNOLOGY PBC (US) | 2017-06-15 | — | — | US | disclosed |