⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6010240 | 0.74 | F2 (0.36) | — | |
| SCHEMBL1966024 | 0.73 | — | — | |
| SCHEMBL5745258 | 0.73 | — | — | |
| SCHEMBL3492149 | 0.65 | — | — | |
| SCHEMBL11156595 | 0.60 | — | — | |
| SCHEMBL6154657 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL3734906 | 0.59 | — | — | |
| SCHEMBL1755914 | 0.58 | — | — | |
| SCHEMBL4740160 | 0.57 | — | — | |
| SCHEMBL4650150 | 0.55 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1663242-B1 | 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND USES AS ANTI-PROLIFERATIVE AGENTS | RIGEL PHARMACEUTICALS INC (US) | 2011-04-27 | — | — | EP | claimed |
| EP-0399731-B2 | Azaindenes | ASTRAZENECA AB (SE) | 2001-07-11 | — | — | EP | disclosed |
| EP-0399731-B1 | Azaindenes | ZENECA LTD (GB) | 1993-12-08 | — | — | EP | disclosed |
| EP-0399731-A1 | Azaindenes | ZENECA LIMITED (GB) | 1990-11-28 | — | — | EP | disclosed |