⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35181 | 0.97 | — | — | |
| SCHEMBL30693690 | 0.97 | ABCB11 (0.36) | — | |
| SCHEMBL17223142 | 0.94 | — | — | |
| SCHEMBL10465114 | 0.84 | ALDH1A1 (0.43) | — | |
| Propionic Acid SCHEMBL27921404 | 0.82 | FFAR3 (0.48) | — | |
| Valeric Acid SCHEMBL27939879 | 0.73 | AKR1B1 (0.50) | — | |
| SCHEMBL35854 | 0.73 | — | — | |
| SCHEMBL35180 | 0.69 | — | — | |
| SCHEMBL186708 | 0.69 | CA1 (0.36) | — | |
| SCHEMBL9851170 | 0.69 | THRB (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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115504979-A | Method for synthesizing mercaptopurine | 南京卡文迪许生物工程技术有限公司 | 2022-12-23 | — | — | CN | disclosed |
| CN-109942596-B | Synthesis method of thiolactone | 上海理工大学 | 2022-04-29 | — | — | CN | disclosed |
| US-7176214-B2 | Imidazo-fused oxazolo[4,5-β]pyridine and imidazo-fused thiazolo[4,5-β]pyridine based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-02-13 | — | — | US | disclosed |
| US-20060217412-A1 | Imidazo-fused oxazolo[4,5-b]pyridine and imidazo-fused thiazolo[4,5-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same | PITTS WILLIAM J | 2006-09-28 | — | — | US | disclosed |
| US-20050101626-A1 | Imidazo-fused oxazolo[4,5-beta]pyridine and imidazo-fused thiazolo[4,5-beta]pyridine based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY | 2005-05-12 | — | — | US | disclosed |
| WO-2004106293-A2 | OXAZOLYL - AND THIAZOLYL - PURINE BASED TRICYCLIC COMPOUNDS. | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-12-09 | — | — | WO | disclosed |
| US-5475132-A | Fungicide intermediates | RHONE-POULENC AGROCHIMIE (FR) | 1995-12-12 | — | — | US | disclosed |
| US-5342835-A | Antifungal agents based on amides containing a phenyl group | RHONE-POULENC AGROCHIMIE (FR) | 1994-08-30 | — | — | US | disclosed |
| US-4713196-A | Polymer compositions exhibiting liquid-crystalline phases | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-12-15 | — | — | US | disclosed |