⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6608086 | 0.81 | — | — | |
| SCHEMBL9243242 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL6857336 | 0.74 | FAAH (0.33) | — | |
| SCHEMBL370773 | 0.73 | DUT (0.30) | — | |
| SCHEMBL3664502 | 0.65 | — | — | |
| SCHEMBL17359792 | 0.65 | — | — | |
| SCHEMBL3333990 | 0.63 | — | — | |
| SCHEMBL301818 | 0.63 | TSHR (0.30) | — | |
| SCHEMBL18231797 | 0.62 | TSHR (0.30) | — | |
| SCHEMBL7551845 | 0.62 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1032561-B1 | SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS | SCHERING CORP (US) | 2004-02-11 | — | — | EP | disclosed |
| EP-1032561-A1 | SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 2000-09-06 | — | — | EP | disclosed |
| US-6063926-A | HAVING GREATER BIOACTIVITY | SCHERING CORPORATION (US) | 2000-05-16 | — | — | US | disclosed |
| WO-1999026924-A1 | SUBSTITUTED OXIMES AS NEUROKININ ANTAGONISTS | SCHERING CORPORATION (US) | 1999-06-03 | — | — | WO | disclosed |