⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4945349 | 0.77 | — | — | |
| SCHEMBL11702134 | 0.59 | — | — | |
| SCHEMBL2697666 | 0.58 | — | — | |
| SCHEMBL7687632 | 0.56 | — | — | |
| SCHEMBL27354575 | 0.55 | — | — | |
| SCHEMBL10455722 | 0.55 | MEN1 (0.37) | — | |
| SCHEMBL4947249 | 0.53 | — | — | |
| SCHEMBL15122419 | 0.53 | — | — | |
| SCHEMBL29018853 | 0.52 | — | — | |
| SCHEMBL28235969 | 0.51 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060160794-A1 | Tachykinin receptor antagonists | ELI LILLY AND COMPANY | 2006-07-20 | — | — | US | disclosed |