⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL874338 | 0.70 | — | — | |
| SCHEMBL8303209 | 0.70 | — | — | |
| SCHEMBL5519076 | 0.69 | — | — | |
| SCHEMBL13649507 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL2530269 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL15062197 | 0.67 | ALDH1A1 (0.40) | — | |
| SCHEMBL10565094 | 0.64 | — | — | |
| SCHEMBL6042421 | 0.64 | — | — | |
| SCHEMBL12121665 | 0.62 | SLC6A2 (0.39) | — | |
| SCHEMBL12124470 | 0.62 | SLC6A2 (0.39) | — |
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-0248854-B1 | NOVEL BISPHOSPHONIC DERIVATIVES, A METHOD FOR THEIR PRODUCTION AND A PHARMACEUTICAL COMPOSITION | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1990-04-25 | — | — | EP | disclosed |
| 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 |