⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5462451 | 0.83 | — | — | |
| SCHEMBL9838673 | 0.73 | — | — | |
| SCHEMBL4404625 | 0.71 | — | — | |
| SCHEMBL9640608 | 0.71 | MGAM (0.43) | — | |
| SCHEMBL7003401 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL9181838 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL10722495 | 0.69 | MGAM (0.41) | — | |
| SCHEMBL3057682 | 0.69 | MGAM (0.41) | — | |
| SCHEMBL1636754 | 0.67 | — | — | |
| SCHEMBL11114893 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1284145-A1 | 2-(3,4-Dihydroxyphenyl)ethyl substituted carbonic acid derivatives and their use | HAARMANN & REIMER GMBH (DE) | 2003-02-19 | — | — | EP | disclosed |
| US-4574159-A | Process for the preparation of O-methyl-N-vinylurethane | BAYER AKTIENGESELLSCHAFT (DE) | 1986-03-04 | — | — | US | disclosed |