⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3846225 | 0.68 | — | — | |
| SCHEMBL3862810 | 0.67 | — | — | |
| SCHEMBL5010020 | 0.64 | KDM4E (0.31) | — | |
| SCHEMBL5223021 | 0.63 | — | — | |
| SCHEMBL28213251 | 0.61 | — | — | |
| SCHEMBL9076345 | 0.61 | — | — | |
| SCHEMBL15256434 | 0.59 | — | — | |
| SCHEMBL2957240 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL28842862 | 0.56 | — | — | |
| SCHEMBL28040630 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0748320-A1 | PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1996-12-18 | — | — | EP | disclosed |
| EP-0734381-A1 | MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1996-10-02 | — | — | EP | disclosed |