⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL442086 | 0.60 | — | — | |
| SCHEMBL14144552 | 0.57 | — | — | |
| SCHEMBL9207649 | 0.57 | L3MBTL1 (0.45) | — | |
| SCHEMBL10368155 | 0.42 | — | — | |
| SCHEMBL21629585 | 0.38 | — | — | |
| SCHEMBL1100915 | 0.38 | — | — | |
| SCHEMBL8076083 | 0.38 | — | — | |
| Formaldehyde SCHEMBL818224 | 0.38 | — | — | |
| Formaldehyde SCHEMBL27739770 | 0.38 | — | — | |
| SCHEMBL3092227 | 0.35 | — | — |
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-1080080-A4 | NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS | ADVANCED MEDICINE INC (US) | 2001-03-07 | — | — | EP | disclosed |
| EP-1080080-A1 | NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS | Advanced Medicine, Inc. (US) | 2001-03-07 | — | — | EP | disclosed |
| WO-1999064000-A9 | NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS | ADVANCED MEDICINE INC (US) | 2000-04-20 | — | — | WO | disclosed |
| WO-1999064000-A1 | NOVEL THERAPEUTIC AGENTS THAT MODULATE NEUROKININ RECEPTORS | ADVANCED MEDICINE, INC. (US) | 1999-12-16 | — | — | WO | disclosed |