⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28288151 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL14728271 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL2040443 | 0.67 | — | — | |
| SCHEMBL17633027 | 0.67 | — | — | |
| SCHEMBL7527856 | 0.67 | — | — | |
| SCHEMBL12994059 | 0.65 | — | — | |
| SCHEMBL3228636 | 0.65 | — | — | |
| SCHEMBL191998 | 0.64 | — | — | |
| SCHEMBL285299 | 0.64 | — | — | |
| SCHEMBL36515 | 0.64 | — | — |
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-7598408-B2 | Intermediates for synthesis of vitamin D derivatives | KNC LABORATORIES CO., LTD. (JP) | 2009-10-06 | — | — | US | disclosed |