⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8601008 | 0.77 | — | — | |
| SCHEMBL13834579 | 0.77 | — | — | |
| SCHEMBL20174140 | 0.75 | — | — | |
| SCHEMBL2143417 | 0.75 | — | — | |
| SCHEMBL4027523 | 0.74 | — | — | |
| Allylthiourea SCHEMBL29372 | 0.74 | — | — | |
| Allylamine SCHEMBL11664738 | 0.73 | ALDH1A1 (0.56) | — | |
| Allylamine SCHEMBL11659396 | 0.73 | ALDH1A1 (0.56) | — | |
| Allylthiourea SCHEMBL28684176 | 0.73 | ALDH1A1 (0.86) | — | |
| SCHEMBL9819151 | 0.73 | ALDH1A1 (0.62) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2003040876-A | METHOD FOR PRODUCING INTERMEDIATE OF NIZATIDINE AND RELATED COMPOUND THEREOF | ELI LILLY & CO | 2003-02-13 | — | — | JP | disclosed |
| EP-0515121-B1 | Process for preparing intermediates to nizatidine and related compounds | LILLY CO ELI (US) | 2000-11-02 | — | — | EP | disclosed |
| EP-0960880-A1 | Process for preparing intermediates to nizatidine and related compounds | ELI LILLY AND COMPANY (US) | 1999-12-01 | — | — | EP | disclosed |
| US-5457206-A | Reacting a 4-hydroxy-4-chloromethyl-2-(aminomethyl)thiazoline with an alkali metal compound in an inert solvents to dechlorination | ELI LILLY AND COMPANY (US) | 1995-10-10 | — | — | US | disclosed |
| US-5334725-A | 2-aminomethyl-4-exomethylenethiazoline epoxides | ELI LILLY AND COMPANY (US) | 1994-08-02 | — | — | US | disclosed |
| EP-0515121-A1 | Process for preparing intermediates to nizatidine and related compounds | ELI LILLY AND COMPANY (US) | 1992-11-25 | — | — | EP | disclosed |
| EP-0049618-B1 | IMPROVEMENTS IN OR RELATING TO 2,4-DISUBSTITUTED THIAZOLE DERIVATIVES | ELI LILLY AND COMPANY (US) | 1985-08-14 | — | — | EP | disclosed |
| EP-0049618-A1 | Improvements in or relating to 2,4-disubstituted thiazole derivatives | ELI LILLY AND COMPANY (US) | 1982-04-14 | — | — | EP | disclosed |