⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28479310 | 0.96 | — | — | |
| SCHEMBL5698597 | 0.91 | SIRT2 (0.36) | — | |
| SCHEMBL21353932 | 0.86 | SIRT2 (0.35) | — | |
| SCHEMBL29084640 | 0.86 | — | — | |
| SCHEMBL18423851 | 0.85 | SIRT2 (0.37) | — | |
| SCHEMBL4392177 | 0.83 | MEN1 (0.41) | — | |
| SCHEMBL28428250 | 0.80 | MAPT (0.33) | — | |
| Choline SCHEMBL10526663 | 0.77 | DNM1 (0.36) | — | |
| SCHEMBL6788568 | 0.77 | — | — | |
| SCHEMBL7962196 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2322261-B1 | Method for cleaning dialkyl carbonates | COVESTRO DEUTSCHLAND AG (DE) | 2016-12-21 | — | — | EP | disclosed |
| EP-2650278-A1 | Method for manufacturing diaryl carbonates from dialkyl carbonates | Bayer MaterialScience AG (DE) | 2013-10-16 | — | — | EP | disclosed |
| EP-2322261-A2 | Method for cleaning dialkyl carbonates | Bayer MaterialScience AG (DE) | 2011-05-18 | — | — | EP | disclosed |
| US-5463102-A | Process for the continuous production of aryl carbonates | BAYER AKTIENGESELLSCHAFT (DE) | 1995-10-31 | — | — | US | disclosed |