⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28479604 | 0.81 | RARB (0.30) | — | |
| SCHEMBL25431756 | 0.81 | TLR8 (0.31) | — | |
| SCHEMBL22068752 | 0.77 | PTGS2 (0.33) | — | |
| SCHEMBL14840191 | 0.77 | THRA (0.34) | — | |
| SCHEMBL2727584 | 0.77 | PTGS2 (0.34) | — | |
| SCHEMBL2726331 | 0.77 | PTGS2 (0.34) | — | |
| SCHEMBL852605 | 0.74 | GPR3 (0.37) | — | |
| SCHEMBL14948591 | 0.74 | GPR3 (0.37) | — | |
| SCHEMBL2608123 | 0.74 | GPR3 (0.37) | — | |
| SCHEMBL14985434 | 0.74 | PTGS2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023172011-A1 | NEAR-INFRARED ABSORBING P-TYPE ORGANIC SEMICONDUCTING MATERIAL AND ORGANIC PHOTODETECTOR COMPRISING SAME | 한국화학연구원 | 2023-09-14 | — | — | WO | disclosed |