⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19371464 | 0.77 | — | — | |
| SCHEMBL9238513 | 0.76 | — | — | |
| SCHEMBL11133159 | 0.74 | — | — | |
| SCHEMBL9235649 | 0.74 | — | — | |
| SCHEMBL1505132 | 0.74 | — | — | |
| SCHEMBL2381851 | 0.74 | — | — | |
| SCHEMBL20361795 | 0.73 | GRIN2D (0.37) | — | |
| SCHEMBL1151082 | 0.72 | — | — | |
| SCHEMBL10976543 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL1205488 | 0.72 | SPHK2 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4315009-A | Antisecretory guanidine derivatives and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1982-02-09 | — | — | US | disclosed |
| EP-0003640-B1 | ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-01-27 | — | — | EP | disclosed |
| EP-0003640-A2 | Antisecretory guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1979-08-22 | — | — | EP | disclosed |