⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7946127 | 0.86 | TSHR (0.30) | — | |
| SCHEMBL5072191 | 0.86 | PTGER4 (0.31) | — | |
| SCHEMBL5613040 | 0.71 | PTGER4 (0.35) | — | |
| SCHEMBL5075346 | 0.70 | PTGER4 (0.46) | — | |
| SCHEMBL11713194 | 0.69 | HCAR2 (0.30) | — | |
| SCHEMBL5072194 | 0.61 | PTGER2 (0.39) | — | |
| SCHEMBL11711444 | 0.61 | PTGER2 (0.41) | — | |
| SCHEMBL7886844 | 0.61 | PTGER2 (0.41) | — | |
| SCHEMBL2241761 | 0.61 | PTGER3 (0.47) | — | |
| SCHEMBL6683022 | 0.60 | PTGER3 (0.53) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7255984-B2 | Combination therapy for osteoporosis | PFIZER INC. (US) | 2007-08-14 | — | — | US | disclosed |
| US-20010009920-A1 | Estrogen agonist/antagonist and a prostaglandin or a prostaglandin agonist/antagonist | KE HUA ZHU (US) | 2001-07-26 | — | — | US | disclosed |