⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18090340 | 0.93 | — | — | |
| SCHEMBL16705790 | 0.90 | GPR35 (0.31) | — | |
| SCHEMBL15724556 | 0.90 | GPR35 (0.31) | — | |
| SCHEMBL18045741 | 0.88 | — | — | |
| SCHEMBL18090330 | 0.87 | DPP4 (0.32) | — | |
| SCHEMBL12913130 | 0.87 | GPR35 (0.33) | — | |
| SCHEMBL18045604 | 0.87 | GPR35 (0.33) | — | |
| SCHEMBL2592980 | 0.86 | DPP4 (0.33) | — | |
| SCHEMBL16731450 | 0.85 | HTT (0.32) | — | |
| SCHEMBL18073738 | 0.85 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9997299-B2 | Organic dye for a dye-sensitized solar cell | ENI S.P.A. (IT) | 2018-06-12 | — | — | US | disclosed |
| US-20160268057-A1 | ORGANIC DYE FOR A DYE-SENSITIZED SOLAR CELL | ENI S.P.A. (IT) | 2016-09-15 | — | — | US | disclosed |