⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11603864 | 0.65 | — | — | |
| SCHEMBL11606575 | 0.57 | CYP1A2 (0.30) | — | |
| SCHEMBL9930180 | 0.54 | — | — | |
| SCHEMBL11604368 | 0.52 | — | — | |
| SCHEMBL4360274 | 0.52 | L3MBTL1 (0.32) | — | |
| SCHEMBL11606894 | 0.52 | — | — | |
| SCHEMBL11931904 | 0.51 | MGLL (0.38) | — | |
| SCHEMBL9815020 | 0.51 | DPP4 (0.37) | — | |
| SCHEMBL7804731 | 0.51 | — | — | |
| SCHEMBL19996269 | 0.51 | — | — |
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-4007274-A | Method of controlling the growth of bacteria and fungi using substituted tetrahydro-s-triazin-2(1H)-one compounds | IMC CHEMICAL GROUP, INC. (US) | 1977-02-08 | — | — | US | disclosed |