⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10942191 | 0.74 | HCAR2 (0.44) | — | |
| SCHEMBL8907820 | 0.74 | HCAR2 (0.44) | — | |
| SCHEMBL5079220 | 0.72 | HCAR2 (0.42) | — | |
| SCHEMBL5079221 | 0.72 | HCAR2 (0.42) | — | |
| SCHEMBL28283660 | 0.69 | KEAP1 (0.33) | — | |
| SCHEMBL9845048 | 0.67 | MAPT (0.50) | — | |
| SCHEMBL25292534 | 0.65 | — | — | |
| SCHEMBL11317806 | 0.65 | — | — | |
| SCHEMBL28039316 | 0.65 | — | — | |
| SCHEMBL26645226 | 0.65 | — | — |
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-1501808-B1 | TACHYKININ RECEPTOR ANTAGONISTS | LILLY CO ELI (US) | 2008-07-02 | — | — | EP | disclosed |
| US-7179804-B2 | Tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 2007-02-20 | — | — | US | disclosed |
| US-20050239776-A1 | Tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 2005-10-27 | — | — | US | disclosed |
| EP-1501808-A1 | TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003091227-A1 | TACHYKININ RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2003-11-06 | — | — | WO | disclosed |