⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2962897 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL7634975 | 0.58 | — | — | |
| Hydrochloric Acid SCHEMBL8595693 | 0.58 | — | — | |
| SCHEMBL3067624 | 0.55 | — | — | |
| SCHEMBL8083263 | 0.55 | — | — | |
| SCHEMBL29350069 | 0.49 | — | — | |
| SCHEMBL28219 | 0.49 | — | — | |
| Iodobenzene SCHEMBL1331855 | 0.47 | — | — | |
| Iodobenzene SCHEMBL1587 | 0.47 | — | — | |
| Benzene SCHEMBL10535043 | 0.47 | ALDH1A1 (0.43) | — |
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-3168848-B1 | PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFICATION PRODUCT THEREOF | FUJIFILM CORP (JP) | 2019-05-22 | — | — | EP | disclosed |