⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30951650 | 0.98 | SLC6A2 (0.36) | — | |
| SCHEMBL11219918 | 0.93 | SLC6A2 (0.38) | — | |
| SCHEMBL29332280 | 0.76 | SLC6A1 (0.38) | — | |
| SCHEMBL29333114 | 0.76 | SLC6A1 (0.38) | — | |
| SCHEMBL22349711 | 0.74 | MAPT (0.39) | — | |
| SCHEMBL4879988 | 0.74 | MAPT (0.43) | — | |
| SCHEMBL4879992 | 0.74 | MAPT (0.43) | — | |
| SCHEMBL31404666 | 0.73 | MAPT (0.33) | — | |
| SCHEMBL20833297 | 0.73 | MAPT (0.37) | — | |
| SCHEMBL20833158 | 0.73 | MAPT (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1130016-A1 | THIOCARBAMIC ACID DERIVATIVES | HOKURIKU SEIYAKU CO., LTD. (JP) | 2001-09-05 | — | — | EP | disclosed |