⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4931399 | 0.73 | KDM4E (0.32) | — | |
| SCHEMBL4930370 | 0.71 | — | — | |
| SCHEMBL4931403 | 0.66 | KDM4E (0.37) | — | |
| SCHEMBL4935443 | 0.66 | HTR2A (0.36) | — | |
| SCHEMBL4930377 | 0.65 | HTR1B (0.32) | — | |
| SCHEMBL10361949 | 0.62 | MAPT (0.45) | — | |
| SCHEMBL22288178 | 0.61 | MAPT (0.41) | — | |
| SCHEMBL8211957 | 0.60 | TACR3 (0.42) | — | |
| SCHEMBL8207670 | 0.60 | MAPT (0.43) | — | |
| SCHEMBL24200933 | 0.60 | HTR2A (0.45) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080299674-A1 | Novel Isonitrile Compound, Its Method Of Manufacture, A Marine Fouling Organism Larva Fluorescent, And A Method Of Detecting This Marine Fouling Organism Larva Using Said Marker | CENTRAL RESEARCH INSTITUTE OF ELECTRIC POWER INDUSTRY (JP) | 2008-12-04 | — | — | US | disclosed |