⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7059840 | 1.00 | — | — | |
| SCHEMBL12153027 | 1.00 | — | — | |
| SCHEMBL11295892 | 0.81 | CA12 (0.33) | — | |
| SCHEMBL11295894 | 0.81 | CA12 (0.33) | — | |
| SCHEMBL11204096 | 0.80 | — | — | |
| SCHEMBL11204095 | 0.80 | — | — | |
| SCHEMBL7295983 | 0.79 | — | — | |
| SCHEMBL7059374 | 0.78 | CA12 (0.38) | — | |
| SCHEMBL7059370 | 0.78 | CA12 (0.38) | — | |
| SCHEMBL17577820 | 0.76 | MAPT (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2298765-A1 | 4-Oxadiazolyl-piperidine compounds and use thereof | Purdue Pharma LP (US) | 2011-03-23 | — | — | EP | disclosed |
| EP-0662474-B1 | PROCESS FOR THE PREPARATION OF CHLOROPYRIDINES | BAYER CROPSCIENCE AG (DE) | 2003-05-14 | — | — | EP | disclosed |
| US-5675010-A | CHLORINATING UNSATURATED AMIDE IN PRESENCE OF A SUBSTITUTED FORMAMIDE | BAYER AKTIENGESELLSCHAFT (DE) | 1997-10-07 | — | — | US | disclosed |
| US-5541332-A | Chloropyridinium chlorides and process for their preparation | BAYER AKTIENGESELLSCHAFT (DE) | 1996-07-30 | — | — | US | disclosed |
| EP-0662474-A1 | Chloropyridiniumchlorides and process for their preparation | BAYER AG (DE) | 1995-07-12 | — | — | EP | disclosed |