⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27987518 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL27987090 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL16378586 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL21160147 | 0.78 | — | — | |
| SCHEMBL13310241 | 0.76 | TSHR (0.43) | — | |
| SCHEMBL10547058 | 0.74 | CA1 (0.33) | — | |
| SCHEMBL18683556 | 0.71 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL20457731 | 0.71 | — | — | |
| SCHEMBL13310249 | 0.69 | NFKB1 (0.32) | — | |
| SCHEMBL9296525 | 0.69 | KDM4E (0.33) | — |
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-7741010-B2 | Polyester, polyurethane, polyether, polyamide, polyurea formed by a monomer containing two imine groups in the back bone and two end groups containing OH, NR2H, COOH, COCL, COOR, NCO and NCS group polymerized with other monomers; a photolatent or heat latent catalyst such as onium compounds, triazines | FUJIFILM CORPORATION (JP) | 2010-06-22 | — | — | US | disclosed |
| US-20080268371-A1 | Polyester, polyurethane, polyether, polyamide, polyurea formed by a monomer containing two imine groups in the back bone and two end groups containing OH, NR2H, COOH, COCL, COOR, NCO and NCS group polymerized with other monomers; a photolatent or heat latent catalyst such as onium compounds, triazines | FUJIFILM CORPORATION (JP) | 2008-10-30 | — | — | US | disclosed |