⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7569600 | 0.78 | MGAM (0.42) | — | |
| SCHEMBL862169 | 0.77 | — | — | |
| SCHEMBL6972390 | 0.77 | — | — | |
| SCHEMBL14169138 | 0.77 | — | — | |
| SCHEMBL6972392 | 0.77 | — | — | |
| SCHEMBL11186868 | 0.74 | — | — | |
| SCHEMBL11186865 | 0.74 | — | — | |
| SCHEMBL11398103 | 0.72 | TAS2R38 (0.40) | — | |
| SCHEMBL23237464 | 0.70 | — | — | |
| SCHEMBL10867061 | 0.70 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180161783-A1 | FUNCTIONALIZED SILICONES FOR FROTH FLOTATION | ECOLAB USA INC. | 2018-06-14 | — | — | US | disclosed |
| EP-1059289-B1 | Process for manufacture of N-alk(en)oxy(or aryloxy)carbonyl isothiocyanates and their derivatives in the presence of N,N-dialkylarylamine catalyst | BAYER AG (US) | 2005-07-27 | — | — | EP | disclosed |
| CN-1192024-C | Method for preparing substituted triazolone | AMERICAN BAYER CO (US) | 2005-03-09 | — | — | CN | disclosed |
| EP-1113010-B1 | A process for the manufacture of substituted triazolinones | BAYER AG (US) | 2003-10-08 | — | — | EP | disclosed |
| EP-1113010-A1 | A process for the manufacture of substituted triazolinones | Bayer Corporation (US) | 2001-07-04 | — | — | EP | disclosed |
| CN-1301695-A | Method for preparing substituted triazolone | AMERICAN BAYER CO (US) | 2001-07-04 | — | — | CN | disclosed |
| US-6197971-B1 | CYCLIZATION REACTION OF THIONOCARBAMATE WITH HYDRAZINE; ALKYLATION; HERBICIDE CHEMICAL INTERMEDIATES | BAYER CORPORATION | 2001-03-06 | — | — | US | disclosed |
| US-6184412-B1 | REACTING A CHLOROFORMATE WITH A THIOCYANATE IN AN AQUEOUS SOLVENT AND A CATALYTIC N,N-DIALKYLARYLAMINE TO PRODUCE A N-ALKOXY(OR ARYLOXY)CARBONYL ISOTHIOCYANATE INTERMEDIATE; CONVERTING TO AN N-ALKOXY(OR ARYLOXY)CARBONYL ISOTHIOCYANATE | BAYER CORPORATION | 2001-02-06 | — | — | US | disclosed |
| EP-1059289-A1 | Process for manufacture of N-alk(en)oxy(or aryloxy)carbonyl isothiocyanates and their derivatives in the presence of N,N-dialkylarylamine catalyst | Bayer Corporation (US) | 2000-12-13 | — | — | EP | disclosed |
| US-6066754-A | Process for manufacturing N-alkoxy(or aryloxy)carbonyl isothiocyanate derivatives using N,N-dialkylarylamine as catalyst | BAYER CORPORATION (US) | 2000-05-23 | — | — | US | disclosed |