⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4509449 | 0.82 | GRM5 (0.39) | — | |
| SCHEMBL941389 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL5194099 | 0.73 | CHRNB2 (0.39) | — | |
| SCHEMBL3885429 | 0.69 | NPC1 (0.37) | — | |
| SCHEMBL2950009 | 0.67 | OPRK1 (0.35) | — | |
| SCHEMBL22615936 | 0.66 | ALDH1A1 (0.31) | — | |
| Acetic Acid SCHEMBL11076307 | 0.64 | TSHR (0.58) | — | |
| SCHEMBL987906 | 0.64 | TSHR (0.65) | — | |
| SCHEMBL8598310 | 0.64 | TSHR (0.46) | — | |
| SCHEMBL28908593 | 0.63 | HCAR2 (0.63) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090270381-A1 | Non-steroidal progesterone receptor modulators | BAYER SCHERING PHARMA AG (DE) | 2009-10-29 | — | — | US | disclosed |