⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8633808 | 0.82 | — | — | |
| SCHEMBL8633410 | 0.77 | — | — | |
| SCHEMBL8631185 | 0.74 | — | — | |
| SCHEMBL8632467 | 0.74 | — | — | |
| SCHEMBL4431640 | 0.73 | — | — | |
| SCHEMBL8990254 | 0.72 | — | — | |
| SCHEMBL8634448 | 0.69 | LMNA (0.54) | — | |
| SCHEMBL1119464 | 0.67 | MEN1 (0.58) | — | |
| SCHEMBL3963507 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL8631214 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5536725-A | Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines | FMC CORPORATION (US) | 1996-07-16 | — | — | US | claimed |
| 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 |