⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2112555 | 0.98 | GPR84 (0.32) | — | |
| SCHEMBL6696081 | 0.92 | — | — | |
| SCHEMBL11054393 | 0.87 | — | — | |
| SCHEMBL6466749 | 0.81 | — | — | |
| SCHEMBL3461474 | 0.81 | — | — | |
| SCHEMBL10944752 | 0.81 | — | — | |
| SCHEMBL10940176 | 0.81 | — | — | |
| SCHEMBL42856 | 0.77 | — | — | |
| SCHEMBL42855 | 0.77 | — | — | |
| SCHEMBL6606020 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6613879-B1 | Of given formula; produrg which can be converted to a drug by fibroblast activation protein (FAP); cytotoxic; antiproliferative and anticarcinogenic agent | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2003-09-02 | — | — | US | disclosed |
| EP-1180116-A2 | FAP-ACTIVATED ANTI-TUMOR COMPOUNDS | Boehringer Ingelheim Pharma KG (DE) | 2002-02-20 | — | — | EP | disclosed |
| WO-2000071571-A2 | FAP-ACTIVATED ANTI-TUMOR COMPOUNDS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-11-30 | — | — | WO | disclosed |