⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL30260038 | 0.61 | — | — | |
| Isopropylamine SCHEMBL30965101 | 0.58 | — | — | |
| SCHEMBL30507223 | 0.57 | — | — | |
| SCHEMBL508929 | 0.55 | — | — | |
| SCHEMBL12691708 | 0.55 | — | — | |
| Isopropyl Alcohol SCHEMBL1955704 | 0.55 | — | — | |
| Isopropylamine SCHEMBL31143648 | 0.55 | — | — | |
| Isobutane SCHEMBL30405616 | 0.53 | — | — | |
| Isobutane SCHEMBL29666472 | 0.53 | — | — | |
| SCHEMBL1741036 | 0.50 | — | — |
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-20230025510-A1 | BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2023-01-26 | — | — | US | disclosed |