⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL855511 | 0.74 | — | — | |
| SCHEMBL3638679 | 0.74 | — | — | |
| SCHEMBL28482706 | 0.74 | — | — | |
| SCHEMBL25227397 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL25259382 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL23698686 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL28083964 | 0.72 | — | — | |
| SCHEMBL4722819 | 0.69 | — | — | |
| SCHEMBL29204230 | 0.69 | — | — | |
| SCHEMBL8722425 | 0.69 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1296973-A1 | GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES | AstraZeneca AB (SE) | 2003-04-02 | — | — | EP | disclosed |
| WO-2002000644-A1 | GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES | ASTRAZENECA AB (SE) | 2002-01-03 | — | — | WO | disclosed |