⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28354522 | 0.79 | — | — | |
| SCHEMBL28979124 | 0.72 | — | — | |
| SCHEMBL4312216 | 0.65 | — | — | |
| SCHEMBL28354586 | 0.64 | — | — | |
| SCHEMBL14785349 | 0.64 | — | — | |
| SCHEMBL28454156 | 0.63 | — | — | |
| SCHEMBL21081714 | 0.62 | AKR1B1 (0.40) | — | |
| SCHEMBL28329318 | 0.62 | AKR1B1 (0.32) | — | |
| SCHEMBL7118503 | 0.62 | POLB (0.33) | — | |
| SCHEMBL29000955 | 0.60 | — | — |
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-6207464-B1 | INCUBATING TARGET WITH DYE TO FORM A COVALENT BOND; BLUE FLUORESCING DYES | CARNEGIE MELLON UNIVERSITY | 2001-03-27 | — | — | US | disclosed |
| US-5852191-A | Rigidized monomethine cyanines | CARNEGIE MELLON UNIVERSITY (US) | 1998-12-22 | — | — | US | disclosed |