⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27866205 | 0.76 | GSK3B (0.32) | — | |
| Hydrochloric Acid SCHEMBL21179443 | 0.74 | GSK3B (0.32) | — | |
| SCHEMBL30557777 | 0.70 | MAPK1 (0.37) | — | |
| Hydrochloric Acid SCHEMBL30024640 | 0.69 | MAPK1 (0.36) | — | |
| SCHEMBL16795107 | 0.66 | PIK3C3 (0.43) | — | |
| SCHEMBL16130585 | 0.65 | CHRNB2 (0.55) | — | |
| SCHEMBL16130557 | 0.65 | CHRNB2 (0.55) | — | |
| SCHEMBL2606087 | 0.65 | CHRNB2 (0.55) | — | |
| SCHEMBL13634727 | 0.64 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL7759048 | 0.64 | HDAC1 (0.37) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1085875-A1 | USE OF A NK-1 RECEPTOR ANTAGONIST FOR TREATING PSYCHIATRIC DISORDERS | MERCK SHARP & DOHME LTD. (GB) | 2001-03-28 | — | — | EP | claimed |
| WO-1999064010-A1 | USE OF A NK-1 RECEPTOR ANTAGONIST FOR TREATING PSYCHIATRIC DISORDERS | MERCK SHARP & DOHME LIMITED (GB) | 1999-12-16 | — | — | WO | claimed |
| EP-1085875-A1 | USE OF A NK-1 RECEPTOR ANTAGONIST FOR TREATING PSYCHIATRIC DISORDERS | MERCK SHARP & DOHME LTD. (GB) | 2001-03-28 | — | — | EP | disclosed |
| EP-1085874-A1 | USE OF A NK-1 RECEPTOR ANTAGONIST FOR TREATING SEXUAL DYSFUNCTIONS | MERCK SHARP & DOHME LTD. (GB) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999064010-A1 | USE OF A NK-1 RECEPTOR ANTAGONIST FOR TREATING PSYCHIATRIC DISORDERS | MERCK SHARP & DOHME LIMITED (GB) | 1999-12-16 | — | — | WO | disclosed |
| WO-1999064008-A1 | USE OF A NK-1 RECEPTOR ANTAGONIST FOR TREATING SEXUAL DYSFUNCTIONS | MERCK SHARP & DOHME LIMITED (GB) | 1999-12-16 | — | — | WO | disclosed |