⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8635146 | 0.84 | PDK2 (0.37) | — | |
| Bromide SCHEMBL8633449 | 0.75 | SNCA (0.33) | — | |
| SCHEMBL16043398 | 0.75 | HTR2C (0.33) | — | |
| SCHEMBL8633880 | 0.73 | AHR (0.44) | — | |
| SCHEMBL8632446 | 0.72 | SLC6A4 (0.31) | — | |
| SCHEMBL7154326 | 0.71 | — | — | |
| SCHEMBL8634750 | 0.70 | — | — | |
| SCHEMBL8990272 | 0.70 | C5AR1 (0.31) | — | |
| SCHEMBL7274441 | 0.68 | MPO (0.42) | — | |
| SCHEMBL3545157 | 0.63 | AHR (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5712281-A | Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines | FMC CORPORATION (US) | 1998-01-27 | — | — | US | disclosed |
| US-5536725-A | Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines | FMC CORPORATION (US) | 1996-07-16 | — | — | US | disclosed |