⚠ 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 SCHEMBL9096616 | 0.97 | ALDH1A1 (0.50) | — | |
| Hydrochloric Acid SCHEMBL10339610 | 0.95 | TSHR (0.43) | — | |
| Cadaverine Tartrate SCHEMBL5087810 | 0.82 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL9749323 | 0.81 | TSHR (0.38) | — | |
| Hydrochloric Acid SCHEMBL9748656 | 0.81 | TSHR (0.38) | — | |
| SCHEMBL12557080 | 0.81 | TSHR (0.59) | — | |
| SCHEMBL13077852 | 0.73 | — | — | |
| SCHEMBL30570 | 0.69 | — | — | |
| SCHEMBL138865 | 0.69 | — | — | |
| SCHEMBL234229 | 0.69 | TSHR (0.60) | — |
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 |
| EP-0157315-B1 | OPTICALLY ACTIVE DI(3-CHLOR-2-OXYPROPYL-TRIMETHYL-AMMONIUM) TARTRATE | LONZA AG (CH) | 1988-06-01 | — | — | EP | claimed |
| US-4732999-A | Optically-active di-[3-chloro-2-oxy-propyltrimethylammonium]-tartrate | LONZA LTD. (CH) | 1988-03-22 | — | — | US | claimed |