⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12764001 | 0.93 | — | — | |
| SCHEMBL12763958 | 0.85 | ACHE (0.31) | — | |
| SCHEMBL12763990 | 0.82 | TGM2 (0.39) | — | |
| SCHEMBL14078005 | 0.79 | — | — | |
| SCHEMBL12763954 | 0.75 | TGM2 (0.39) | — | |
| SCHEMBL12763962 | 0.74 | MEN1 (0.35) | — | |
| SCHEMBL4085633 | 0.74 | HDAC6 (0.34) | — | |
| SCHEMBL12763965 | 0.74 | MEN1 (0.34) | — | |
| SCHEMBL12763950 | 0.72 | FPR2 (0.38) | — | |
| SCHEMBL12763960 | 0.72 | ALDH1A1 (0.32) | — |
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-9228225-B2 | Xanthene dyes | BIOSEARCH TECHNOLOGIES, INC. (US) | 2016-01-05 | — | — | US | disclosed |
| US-20110054165-A1 | XANTHENE DYES | BIOSEARCH TECHNOLOGIES, INC. (US) | 2011-03-03 | — | — | US | disclosed |