⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5608381 | 0.78 | FFAR3 (0.35) | — | |
| Hydrochloric Acid SCHEMBL10822937 | 0.75 | FFAR3 (0.33) | — | |
| SCHEMBL10336275 | 0.71 | — | — | |
| SCHEMBL8622475 | 0.67 | — | — | |
| SCHEMBL11454178 | 0.66 | GABRR1 (0.30) | — | |
| SCHEMBL4631571 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL3257895 | 0.64 | FFAR3 (0.32) | — | |
| SCHEMBL7122582 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL11878198 | 0.63 | TP53 (0.33) | — | |
| SCHEMBL6415033 | 0.63 | CYP2D6 (0.32) | — |
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-5833733-A | SOLID CORE, COATING; FUNGICIDE, HERBICIDE, NUTRIENTS; FOR RICE PADDYS | NIHON BAYER AGROCHEM K.K. (JP) | 1998-11-10 | — | — | US | disclosed |