⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12632085 | 0.85 | — | — | |
| SCHEMBL8579139 | 0.80 | KDM1A (0.32) | — | |
| SCHEMBL2339926 | 0.78 | KDM1A (0.31) | — | |
| SCHEMBL3943409 | 0.72 | — | — | |
| SCHEMBL24097334 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL28505013 | 0.67 | KDM1A (0.30) | — | |
| SCHEMBL28503063 | 0.67 | KDM1A (0.30) | — | |
| SCHEMBL28984593 | 0.67 | KDM1A (0.30) | — | |
| SCHEMBL12125685 | 0.65 | PTPN1 (0.31) | — | |
| SCHEMBL12125687 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3168847-B1 | PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFICATION PRODUCT THEREOF | FUJIFILM CORP (JP) | 2018-05-16 | — | — | EP | disclosed |