⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1101204 | 0.73 | — | — | |
| SCHEMBL28930323 | 0.67 | — | — | |
| SCHEMBL3340071 | 0.67 | CA1 (0.36) | — | |
| SCHEMBL1099885 | 0.61 | — | — | |
| SCHEMBL20500086 | 0.56 | ALDH1A1 (0.32) | — | |
| SCHEMBL1706576 | 0.55 | GPR35 (0.32) | — | |
| SCHEMBL12628643 | 0.55 | ACACB (0.33) | — | |
| SCHEMBL22826529 | 0.53 | ALDH1A1 (0.39) | — | |
| SCHEMBL9419129 | 0.51 | KDM4E (0.31) | — | |
| SCHEMBL14612944 | 0.51 | EGFR (0.30) | — |
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-8772048-B2 | Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems | KENT STATE UNIVERSITY (US) | 2014-07-08 | — | — | US | disclosed |
| US-20120190098-A1 | FLUOROGENIC COMPOUNDS CONVERTED TO FLUOROPHORES BY PHOTOCHEMICAL OR CHEMICAL MEANS AND THEIR USE IN BIOLOGICAL SYSTEMS | LELAND STANFORD JUNIOR UNIVERSITY (US) | 2012-07-26 | — | — | US | disclosed |
| US-8153446-B2 | Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems | KENT STATE UNIVERSITY (US) | 2012-04-10 | — | — | US | disclosed |
| US-20100029952-A1 | Fluorogenic compounds converted to fluorophores by photochemical or chemical means and their use in biological systems | KENT STATE UNIVERSITY (US) | 2010-02-04 | — | — | US | disclosed |