⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18712107 | 0.72 | — | — | |
| SCHEMBL2837418 | 0.71 | — | — | |
| SCHEMBL376769 | 0.69 | — | — | |
| SCHEMBL376768 | 0.69 | — | — | |
| SCHEMBL25784391 | 0.69 | — | — | |
| SCHEMBL22937 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7346564 | 0.67 | — | — | |
| SCHEMBL22628814 | 0.59 | — | — | |
| SCHEMBL18927845 | 0.59 | — | — | |
| SCHEMBL8534036 | 0.59 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |