⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9793964 | 0.94 | — | — | |
| SCHEMBL611508 | 0.94 | — | — | |
| SCHEMBL9063598 | 0.92 | TP53 (0.41) | — | |
| SCHEMBL9793843 | 0.92 | TP53 (0.41) | — | |
| SCHEMBL9793827 | 0.92 | TP53 (0.41) | — | |
| SCHEMBL13674295 | 0.92 | TP53 (0.41) | — | |
| SCHEMBL612202 | 0.92 | TP53 (0.41) | — | |
| SCHEMBL131334 | 0.88 | — | — | |
| SCHEMBL7453432 | 0.88 | — | — | |
| SCHEMBL13714384 | 0.80 | IDO1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1147093-B1 | SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER PROD INC (US) | 2007-04-11 | — | — | EP | disclosed |
| US-20030186995-A1 | Substituted bicyclic derivatives useful as anticancer agents | PFIZER INC. | 2003-10-02 | — | — | US | disclosed |
| US-6541481-B2 | A quinazoline compound | PFIZER INC | 2003-04-01 | — | — | US | disclosed |
| US-20010034351-A1 | Substituted bicyclic derivatives useful as anticancer agents | KATH JOHN CHARLES (US) | 2001-10-25 | — | — | US | disclosed |
| US-6284764-B1 | ANTIPROLIFERATIVE AGENT | PFIZER INC. | 2001-09-04 | — | — | US | disclosed |