⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9891381 | 0.90 | PRKD3 (0.32) | — | |
| SCHEMBL15671760 | 0.78 | LMNA (0.34) | — | |
| SCHEMBL7790632 | 0.77 | CYP3A4 (0.41) | — | |
| SCHEMBL15451520 | 0.77 | — | — | |
| SCHEMBL28223236 | 0.77 | — | — | |
| SCHEMBL9843735 | 0.74 | — | — | |
| SCHEMBL14183044 | 0.74 | DNM1 (0.38) | — | |
| SCHEMBL22590736 | 0.74 | ALDH1A1 (0.36) | — | |
| SCHEMBL4486364 | 0.73 | — | — | |
| SCHEMBL3692284 | 0.73 | PRKD3 (0.35) | — |
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-20120108781-A1 | POLYMER COMPRISING CYCLOHEXYLENE GROUPS AND ITS USE IN FILMS WITH NEGATIVE OPTICAL DISPERSION | MERCK PATENT GMBH (DE) | 2012-05-03 | — | — | US | disclosed |