⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6857336 | 0.84 | FAAH (0.33) | — | |
| SCHEMBL3171384 | 0.84 | FAAH (0.33) | — | |
| SCHEMBL9517538 | 0.84 | FAAH (0.33) | — | |
| SCHEMBL6607075 | 0.81 | — | — | |
| SCHEMBL5794781 | 0.77 | — | — | |
| SCHEMBL178549 | 0.75 | DUT (0.35) | — | |
| SCHEMBL10433392 | 0.71 | — | — | |
| SCHEMBL4082770 | 0.65 | — | — | |
| SCHEMBL4083167 | 0.65 | — | — | |
| SCHEMBL9823415 | 0.65 | ADRB2 (0.36) | — |
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 7 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 |
| EP-0737232-A4 | MODULAR DESIGN AND SYNTHESIS OF AMINIMIDE CONTAINING MOLECULES | ARQULE INC (US) | 1997-11-26 | — | — | EP | disclosed |
| EP-0737232-A1 | MODULAR DESIGN AND SYNTHESIS OF AMINIMIDE CONTAINING MOLECULES | ARQULE, INC. (US) | 1996-10-16 | — | — | EP | disclosed |
| WO-1995018186-A1 | MODULAR DESIGN AND SYNTHESIS OF AMINIMIDE CONTAINING MOLECULES | ARQULE PARTNERS, L.P. (US) | 1995-07-06 | — | — | WO | disclosed |