⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36897 | 0.81 | ALDH1A1 (0.45) | — | |
| SCHEMBL11574505 | 0.78 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL7231265 | 0.78 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL11203129 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL16289484 | 0.73 | TSHR (0.39) | — | |
| Ethylene Glycol SCHEMBL25435561 | 0.72 | LDHA (0.38) | — | |
| SCHEMBL351954 | 0.72 | — | — | |
| SCHEMBL4728202 | 0.70 | — | — | |
| SCHEMBL22362608 | 0.70 | — | — | |
| SCHEMBL11632565 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008031888-A2 | CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS | CAMPIANI GIUSEPPE (IT) | 2008-03-20 | — | — | WO | claimed |
| CN-104955332-A | Method for controlling arthropod pest | SUMITOMO CHEMICAL CO | 2015-09-30 | — | — | CN | disclosed |
| CN-104105694-A | Amide compound and use thereof for pest control | SUMITOMO CHEMICAL CO | 2014-10-15 | — | — | CN | disclosed |
| WO-2008031888-A2 | CONDENSED PYRIMIDINONES ACTIVE ON GLUTAMATERGIC RECEPTORS | CAMPIANI GIUSEPPE (IT) | 2008-03-20 | — | — | WO | disclosed |