⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6136599 | 1.00 | — | — | |
| SCHEMBL16358921 | 0.80 | — | — | |
| SCHEMBL10899240 | 0.80 | — | — | |
| SCHEMBL8053135 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL8053130 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL5997799 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL5152708 | 0.76 | — | — | |
| SCHEMBL7163085 | 0.76 | ALDH1A1 (0.35) | — | |
| SCHEMBL13301756 | 0.76 | TSHR (0.35) | — | |
| SCHEMBL5152715 | 0.76 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101830839-A | Method for synthesizing Seocalcitol | HYDRAGON PHARMA CO LTD | 2010-09-15 | — | — | CN | disclosed |
| 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 |
| US-3975381-A | Process for preparing γ-lactone derivatives | SAGAMI CHEMICAL RESEARCH CENTER (JA) | 1976-08-17 | — | — | US | disclosed |