⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL955014 | 0.74 | — | — | |
| SCHEMBL2359396 | 0.72 | — | — | |
| SCHEMBL10705266 | 0.71 | — | — | |
| SCHEMBL5431609 | 0.70 | — | — | |
| SCHEMBL23761187 | 0.67 | — | — | |
| SCHEMBL12341466 | 0.67 | L3MBTL1 (0.32) | — | |
| SCHEMBL16874405 | 0.67 | CASP1 (0.31) | — | |
| SCHEMBL21960277 | 0.62 | CYP1A2 (0.41) | — | |
| SCHEMBL9853066 | 0.61 | HTT (0.43) | — | |
| SCHEMBL23071481 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0114850-B1 | NEW SUBSTITUTED DERIVATIVES OF 2,5-DIAMINO 1,4-DIAZOLE, PREPARATION METHODS THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOUCHARA S.A. (FR) | 1988-06-29 | — | — | EP | disclosed |
| EP-0114850-A1 | NEW SUBSTITUTED DERIVATIVES OF 2,5-DIAMINO 1,4-DIAZOLE, PREPARATION METHODS THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. | BOUCHARA EMILE (FR) | 1984-08-08 | — | — | EP | disclosed |
| WO-1984000546-A1 | NEW SUBSTITUTED DERIVATIVES OF 2,5-DIAMINO 1,4-DIAZOLE, PREPARATION METHODS THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BOUCHARA EMILE (FR) | 1984-02-16 | — | — | WO | disclosed |