⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2611142 | 0.73 | — | — | |
| SCHEMBL19256226 | 0.68 | — | — | |
| SCHEMBL11560778 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL16014612 | 0.62 | — | — | |
| SCHEMBL4359165 | 0.62 | — | — | |
| SCHEMBL4354712 | 0.62 | — | — | |
| SCHEMBL1492553 | 0.57 | — | — | |
| SCHEMBL67391 | 0.56 | — | — | |
| SCHEMBL10441957 | 0.56 | TNF (0.30) | — | |
| SCHEMBL6511999 | 0.55 | KMT2A (0.38) | — |
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-3253210-B1 | 2-(HET) ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2021-11-24 | — | — | EP | disclosed |
| US-7071333-B2 | Triazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-07-04 | — | — | US | disclosed |
| US-20050038054-A1 | Triazolopurine-based tricyclic compounds and pharmaceutical compositions comprising same | BRISTOL-MYERS SQUIBB COMPANY | 2005-02-17 | — | — | US | disclosed |
| WO-2005011609-A2 | TRIAZOLOPURINE-BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-02-10 | — | — | WO | disclosed |