⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20045123 | 0.86 | PTGS2 (0.30) | — | |
| SCHEMBL102857 | 0.85 | MMP12 (0.35) | — | |
| SCHEMBL20045121 | 0.80 | PTGS2 (0.32) | — | |
| SCHEMBL20045124 | 0.72 | PTGS2 (0.34) | — | |
| SCHEMBL20045131 | 0.71 | CHRNB2 (0.35) | — | |
| SCHEMBL21937247 | 0.68 | KDM4E (0.42) | — | |
| SCHEMBL103526 | 0.67 | IDO1 (0.35) | — | |
| SCHEMBL104016 | 0.65 | MMP12 (0.40) | — | |
| SCHEMBL23298960 | 0.65 | CNR1 (0.40) | — | |
| SCHEMBL102855 | 0.64 | ALDH1A1 (0.44) | — |
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-20180100105-A1 | ANISOTROPIC SCATTERING FILM | DIC CORPORATION (JP) | 2018-04-12 | — | — | US | disclosed |