⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2483784 | 0.77 | S100A4 (0.33) | — | |
| SCHEMBL29529446 | 0.77 | S100A4 (0.33) | — | |
| Thiophene SCHEMBL29107340 | 0.72 | — | — | |
| Naphthalene SCHEMBL28648756 | 0.72 | S100A4 (0.31) | — | |
| SCHEMBL137867 | 0.72 | GPR35 (0.38) | — | |
| Bromide SCHEMBL2266333 | 0.70 | GPR35 (0.37) | — | |
| SCHEMBL16553892 | 0.70 | GPR35 (0.37) | — | |
| Pyrrole SCHEMBL17957158 | 0.68 | GPR35 (0.32) | — | |
| Thiophene SCHEMBL1095087 | 0.67 | GPR35 (0.33) | — | |
| SCHEMBL21539508 | 0.66 | KDM4E (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112352328-A | Organic semiconductor compound | 天光材料科技股份有限公司 | 2021-02-09 | — | — | CN | disclosed |