⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL641948 | 1.00 | — | — | |
| Trifluoroacetic Acid SCHEMBL2484766 | 0.95 | ALDH1A1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL7814389 | 0.95 | ALDH1A1 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL30657022 | 0.95 | — | — | |
| Trifluoroacetic Acid SCHEMBL474 | 0.95 | — | — | |
| Trifluoroacetic Acid SCHEMBL4598430 | 0.95 | — | — | |
| Trifluoroacetic Acid SCHEMBL25297651 | 0.91 | ALDH1A1 (0.42) | — | |
| Trifluoroacetic Acid SCHEMBL22712611 | 0.91 | — | — | |
| Trifluoroacetic Acid SCHEMBL20571142 | 0.91 | — | — | |
| Trifluoroacetic Acid SCHEMBL21802705 | 0.91 | ALDH1A1 (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8354499-B2 | Cyanine-based probe\\tag-peptide pair fluorescence protein imaging and fluorescence protein imaging methods | BATTELLE MEMORIAL INSTITUTE (US) | 2013-01-15 | — | — | US | disclosed |
| US-20100216182-A1 | Cyanine-Based Probe\\Tag-Peptide Pair Fluorescence Protein Imaging and Fluorescence Protein Imaging Methods | BATTELLE MEMORIAL INSTITUTE (US) | 2010-08-26 | — | — | US | disclosed |
| US-7776999-B2 | Cyanine-based probe\\tag-peptide pair for fluorescence protein imaging and fluorescence protein imaging methods | BATTELLE MEMORIAL INSTITUTE (US) | 2010-08-17 | — | — | US | disclosed |
| EP-2152810-A1 | A CYANINE-BASED PROBE\\TAG-PEPTIDE PAIR FOR FLUORESCENCE PROTEIN IMAGING AND FLUORESCENCE PROTEIN IMAGING METHODS | BATTELLE MEMORIAL INSTITUTE (US) | 2010-02-17 | — | — | EP | disclosed |
| WO-2008127768-A1 | A CYANINE-BASED PROBE\\TAG-PEPTIDE PAIR FOR FLUORESCENCE PROTEIN IMAGING AND FLUORESCENCE PROTEIN IMAGING METHODS | BATTELLE MEMORIAL INSTITUTE (US) | 2008-10-23 | — | — | WO | disclosed |
| US-20080254546-A1 | A Cyanine-based probe\\tag-peptide pair for fluorescence protein imaging and fluorescence protein imaging methods | BATTELLE MEMORIAL INSTITUTE | 2008-10-16 | — | — | US | disclosed |