⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2134253 | 0.72 | — | — | |
| Isopropyl Isothiocyanate SCHEMBL213474 | 0.72 | — | — | |
| SCHEMBL28220625 | 0.69 | — | — | |
| SCHEMBL15011721 | 0.67 | — | — | |
| SCHEMBL11424714 | 0.67 | TRPA1 (0.56) | — | |
| SCHEMBL944822 | 0.67 | — | — | |
| SCHEMBL11576483 | 0.67 | — | — | |
| SCHEMBL1024887 | 0.67 | — | — | |
| SCHEMBL7808164 | 0.67 | — | — | |
| SCHEMBL945811 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3383377-B1 | COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE | PROCTER & GAMBLE (US) | 2024-04-17 | — | — | EP | disclosed |
| EP-3383377-A1 | COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE | The Procter and Gamble Company (US) | 2018-10-10 | — | — | EP | disclosed |
| WO-2017095975-A1 | COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE | THE PROCTER & GAMBLE COMPANY (US) | 2017-06-08 | — | — | WO | disclosed |
| US-20170152222-A1 | COMPOUNDS AND METHODS FOR INHIBITING PRODUCTION OF TRIMETHYLAMINE | THE PROCTER & GAMBLE COMPANY | 2017-06-01 | — | — | US | disclosed |
| EP-1437940-A1 | THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS | Bayer Chemicals AG (DE) | 2004-07-21 | — | — | EP | disclosed |
| WO-2003001913-A1 | THIAZINES AND THIAZOLES FOR USE AS MATERIAL PROTECTIVE AGENTS | BAYER CHEMICALS AG (DE) | 2003-01-09 | — | — | WO | disclosed |
| EP-0717042-B1 | Process for preparing 1-(4,5-Dihydro-2-thiazolyle)-3-azetidine thiol derivatives | WYETH LEDERLE JAPAN LTD (JP) | 2001-05-23 | — | — | EP | disclosed |
| US-5783703-A | CARBAPENEM INTERMEDIATES | LEDERLE (JAPAN), LTD. (JP) | 1998-07-21 | — | — | US | disclosed |
| US-5659043-A | BACTERICIDES | LEDERLE (JAPAN) LTD. (JP) | 1997-08-19 | — | — | US | disclosed |
| EP-0717042-A1 | 1-(4,5-Dihydro-2-thiazolyle)-3-azetidine thiol derivatives | LEDERLE (JAPAN), Ltd. (JP) | 1996-06-19 | — | — | EP | disclosed |