⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11527851 | 0.93 | CA2 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL11125838 | 0.91 | CA2 (0.30) | — | |
| SCHEMBL15141613 | 0.73 | — | — | |
| SCHEMBL8975613 | 0.70 | — | — | |
| SCHEMBL777817 | 0.69 | ALDH1A1 (0.39) | — | |
| Methylamine SCHEMBL27837052 | 0.68 | — | — | |
| Trimethylammonium SCHEMBL348029 | 0.67 | CA2 (0.35) | — | |
| SCHEMBL4120486 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL10912421 | 0.67 | CA2 (0.30) | — | |
| SCHEMBL17456457 | 0.67 | ALDH1A1 (0.38) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1086072-B1 | PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF | UNIV MICHIGAN STATE (US) | 2006-10-18 | — | — | EP | claimed |
| EP-1086072-A4 | PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF | UNIV MICHIGAN STATE (US) | 2004-12-22 | — | — | EP | claimed |
| EP-1086072-A1 | PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF | MICHIGAN STATE UNIVERSITY (US) | 2001-03-28 | — | — | EP | claimed |
| US-6084131-A | Process for the preparation of protected dihydroxypropyl trialkylammonium salts and derivatives thereof | BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) | 2000-07-04 | — | — | US | claimed |
| WO-1999062863-A1 | PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF | MICHIGAN STATE UNIVERSITY (US) | 1999-12-09 | — | — | WO | claimed |
| EP-1086072-B1 | PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF | UNIV MICHIGAN STATE (US) | 2006-10-18 | — | — | EP | disclosed |
| EP-1086072-A4 | PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF | UNIV MICHIGAN STATE (US) | 2004-12-22 | — | — | EP | disclosed |
| EP-1086072-A1 | PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF | MICHIGAN STATE UNIVERSITY (US) | 2001-03-28 | — | — | EP | disclosed |
| US-6084131-A | Process for the preparation of protected dihydroxypropyl trialkylammonium salts and derivatives thereof | BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) | 2000-07-04 | — | — | US | disclosed |
| WO-1999062863-A1 | PROCESS FOR THE PREPARATION OF PROTECTED DIHYDROXYPROPYL TRIALKYLAMMONIUM SALTS AND DERIVATIVES THEREOF | MICHIGAN STATE UNIVERSITY (US) | 1999-12-09 | — | — | WO | disclosed |