⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28914201 | 0.91 | — | — | |
| SCHEMBL28914200 | 0.83 | — | — | |
| SCHEMBL395580 | 0.78 | TSHR (0.31) | — | |
| SCHEMBL468009 | 0.76 | — | — | |
| SCHEMBL28049550 | 0.76 | — | — | |
| SCHEMBL5996973 | 0.76 | — | — | |
| SCHEMBL14718381 | 0.72 | — | — | |
| Bicarbonate SCHEMBL28914177 | 0.72 | FDPS (0.31) | — | |
| SCHEMBL7159136 | 0.72 | — | — | |
| SCHEMBL5613293 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1048661-B1 | Process for preparing anti-osteoporotic agents | HOFFMANN LA ROCHE (CH) | 2005-11-30 | — | — | EP | disclosed |
| US-6255501-B1 | PREPARING 3AR-(1(1S*,3E),3A.ALPHA.,7A.BETA.))-1-(5-ETHYL-1-METHYL-5 -((TRIETHYLSILYL)OXY)-3-HEPTENYL)-3,3A,5,6,7,7A-HEXAHYDRO-7A-METHYL-4H-INDEN-4-ONE USEFUL IN TREATING OSTEOPOROSIS | HOFFMAN-LA ROCHE INC. | 2001-07-03 | — | — | US | disclosed |
| EP-1048661-A2 | Process for preparing anti-osteoporotic agents | F. HOFFMANN-LA ROCHE AG (CH) | 2000-11-02 | — | — | EP | disclosed |
| EP-0708755-B1 | NOVEL VITAMIN D ANALOGUES | LEO PHARM PROD LTD (DK) | 1998-04-22 | — | — | EP | disclosed |
| US-5716945-A | ANTIINFLAMMATORY AGENTS; IMMUNOSTIMULATION; CELL DIFFERENTIATION; ANTIGROWTH AGENTS | Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktieselskab) (DK) | 1998-02-10 | — | — | US | disclosed |
| EP-0708755-A1 | NOVEL VITAMIN D ANALOGUES | LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) | 1996-05-01 | — | — | EP | disclosed |
| WO-1995002577-A1 | NOVEL VITAMIN D ANALOGUES | Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) | 1995-01-26 | — | — | WO | disclosed |