⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6230697 | 0.97 | — | — | |
| SCHEMBL280456 | 0.97 | — | — | |
| SCHEMBL16317106 | 0.97 | — | — | |
| SCHEMBL24584756 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL21939907 | 0.66 | CYP2C19 (0.30) | — | |
| SCHEMBL21940415 | 0.66 | CYP2C19 (0.30) | — | |
| SCHEMBL343560 | 0.65 | — | — | |
| SCHEMBL4652277 | 0.65 | ABCB1 (0.32) | — | |
| SCHEMBL25412343 | 0.65 | — | — | |
| SCHEMBL762450 | 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 |
|---|---|---|---|---|---|---|---|
| US-4314023-A | AZO-METHINE DYES | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) | 1982-02-02 | — | — | US | disclosed |