⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8430784 | 0.92 | AMPD2 (0.31) | — | |
| SCHEMBL16449 | 0.86 | — | — | |
| SCHEMBL1626873 | 0.86 | — | — | |
| Bromide SCHEMBL28082722 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL235242 | 0.84 | — | — | |
| SCHEMBL28146653 | 0.84 | — | — | |
| SCHEMBL31126475 | 0.82 | — | — | |
| SCHEMBL487262 | 0.82 | — | — | |
| Ethylene Glycol SCHEMBL28225231 | 0.81 | MEN1 (0.35) | — | |
| SCHEMBL3063562 | 0.78 | — | — |
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-7709479-B1 | Quinazoline derivatives and their use as pharmaceuticals | ASTRAZENECA (SE) | 2010-05-04 | — | — | US | disclosed |
| US-6042750-A | TETRAALKYLAMMONIUM HALIDE, ALKYLENEDIAMINE, ALIPHATIC HYDROCARBON HYDROXY IMIDAZOLINE, POLYOXYETHYLENE GLYCOL ESTERS AND AMINES, TRIALKANOLAMINE, AND AMINE OXYALKYLATE; PIPES | Docter, Joan (US) | 2000-03-28 | — | — | US | disclosed |