⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11668429 | 0.81 | — | — | |
| SCHEMBL4356816 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL8941774 | 0.77 | THRB (0.50) | — | |
| SCHEMBL4936849 | 0.75 | ALDH1A1 (0.44) | — | |
| SCHEMBL4361028 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL19970453 | 0.74 | ALDH1A1 (0.60) | — | |
| SCHEMBL22247 | 0.74 | — | — | |
| SCHEMBL2757538 | 0.74 | — | — | |
| SCHEMBL4363651 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL8467408 | 0.73 | — | — |
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-0191044-B1 | DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1990-02-07 | — | — | EP | disclosed |
| US-4732998-A | Bisphosphonic acids and esters | LEO PHARMACEUTICAL PRODUCTS, LTD. (DK) | 1988-03-22 | — | — | US | disclosed |
| EP-0191044-A1 | DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION. | LEO PHARM PROD LTD (DK) | 1986-08-20 | — | — | EP | disclosed |
| WO-1986000902-A1 | DERIVATIVES OF METHYLENE-BISPHOSPHONIC ACID, PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) | 1986-02-13 | — | — | WO | disclosed |