⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3075465 | 0.82 | — | — | |
| SCHEMBL15452 | 0.82 | — | — | |
| SCHEMBL16104649 | 0.82 | — | — | |
| Bromide SCHEMBL437926 | 0.78 | — | — | |
| SCHEMBL17784007 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL2328661 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL10685077 | 0.78 | — | — | |
| Iodide SCHEMBL1832977 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL3901710 | 0.74 | — | — | |
| Iodide SCHEMBL3901701 | 0.74 | ALDH1A1 (0.39) | — |
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 4 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-20080214811-A1 | XANTHENE DYES | BIOSEARCH TECHNOLOGIES, INC. (US) | 2008-09-04 | — | — | US | disclosed |
| US-7344701-B2 | Xanthene dyes | BIOSEARCH TECHNOLOGIES, INC. (US) | 2008-03-18 | — | — | US | disclosed |
| US-20050170363-A1 | Xanthene dyes | BIOSEARCH TECHNOLOGIES, INC. (US) | 2005-08-04 | — | — | US | disclosed |