⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12763958 | 0.93 | ACHE (0.31) | — | |
| SCHEMBL14078004 | 0.90 | KDM4E (0.31) | — | |
| SCHEMBL14078007 | 0.88 | MEN1 (0.32) | — | |
| SCHEMBL22247631 | 0.85 | FTO (0.33) | — | |
| SCHEMBL1095524 | 0.84 | HDAC6 (0.33) | — | |
| SCHEMBL18258300 | 0.83 | KDM4E (0.34) | — | |
| Rhodamine 6G SCHEMBL11510135 | 0.83 | USP2 (0.36) | — | |
| SCHEMBL22247630 | 0.82 | — | — | |
| SCHEMBL22219891 | 0.82 | HDAC6 (0.32) | — | |
| SCHEMBL12763965 | 0.82 | MEN1 (0.34) | — |
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-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 |