⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4149894 | 0.83 | ALOX15 (0.43) | — | |
| SCHEMBL4159192 | 0.83 | SLC7A5 (0.42) | — | |
| SCHEMBL9342398 | 0.77 | CYP1A2 (0.44) | — | |
| SCHEMBL9342406 | 0.77 | CYP1A2 (0.44) | — | |
| SCHEMBL594264 | 0.76 | NOS1 (0.40) | — | |
| SCHEMBL1841165 | 0.76 | NOS1 (0.40) | — | |
| SCHEMBL4160100 | 0.76 | GRIN2D (0.33) | — | |
| SCHEMBL4153755 | 0.76 | MARS1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL4095856 | 0.74 | NOS1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL1807882 | 0.74 | NOS1 (0.39) | — |
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-20090099307-A1 | Inverse solid phase peptide synthesis with additional capping step | ACTIVOTEC SPP LIMITED (GB) | 2009-04-16 | — | — | US | disclosed |
| US-20080242836-A1 | Convergent Solid Phase Peptide Synthesis By Reaction Of Two Fragments Bound To Solid Support | UNIVERSITY OF SOUTHAMPTON (GB) | 2008-10-02 | — | — | US | disclosed |