⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12483162 | 0.77 | — | — | |
| SCHEMBL6064421 | 0.65 | — | — | |
| SCHEMBL6739445 | 0.65 | — | — | |
| SCHEMBL4590049 | 0.65 | — | — | |
| SCHEMBL2920862 | 0.64 | — | — | |
| SCHEMBL7640633 | 0.62 | — | — | |
| SCHEMBL586833 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL3984819 | 0.60 | — | — | |
| SCHEMBL1189751 | 0.60 | — | — | |
| SCHEMBL1593092 | 0.59 | — | — |
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-1706147-A2 | COMBINATION THERAPY WITH 5-HT sb 1A /sb AND 5-HT sb 1B /sb RECEPTOR ANTAGONISTS | Recordati Ireland Limited (IE) | 2006-10-04 | — | — | EP | claimed |
| WO-2005070460-A2 | COMBINATION THERAPY WITH 5-HT1A AND 5-HT1B RECEPTOR ANTAGONISTS | RECORDATI IRELAND LIMITED (IE) | 2005-08-04 | — | — | WO | claimed |
| US-4870063-A | Bisphosphonic acid derivatives, their production and use | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) | 1989-09-26 | — | — | US | disclosed |
| EP-0248854-A1 | NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION. | LEO PHARM PROD LTD (DK) | 1987-12-16 | — | — | EP | disclosed |
| WO-1987003598-A1 | NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) | 1987-06-18 | — | — | WO | disclosed |
| US-4578378-A | (Oxoheterocyclic carbonamido)cephem carboxylic acid derivatives | SHIONOGI & CO., LTD. (JP) | 1986-03-25 | — | — | US | disclosed |