⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9748670 | 1.00 | — | — | |
| SCHEMBL193840 | 1.00 | — | — | |
| Water SCHEMBL341614 | 0.97 | — | — | |
| Fluoride Ion SCHEMBL1502834 | 0.97 | — | — | |
| Bromide SCHEMBL1502778 | 0.97 | — | — | |
| Iodide SCHEMBL1502780 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL194776 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL9748547 | 0.97 | — | — | |
| Water SCHEMBL22462356 | 0.97 | MAPT (0.40) | — | |
| Water SCHEMBL11879378 | 0.97 | MAPT (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0277620-B1 | PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE BETA-METHYL CHOLINE | LONZA AG (CH) | 1992-06-03 | — | — | EP | claimed |
| US-4906780-A | Process for the production of optically active beta-methylcholine | LONZA LTD. (CH) | 1990-03-06 | — | — | US | claimed |
| US-20100221809-A1 | Compositions and Methods for the Isolation of Biologically Active Proteins | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2010-09-02 | — | — | US | disclosed |