⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16654105 | 0.95 | TRPA1 (0.36) | — | |
| SCHEMBL20893392 | 0.95 | TRPA1 (0.36) | — | |
| SCHEMBL18306306 | 0.93 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL28207021 | 0.93 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL30623053 | 0.79 | TRPA1 (0.37) | — | |
| SCHEMBL19375823 | 0.79 | KDM4E (0.41) | — | |
| SCHEMBL20327298 | 0.78 | KMT2A (0.34) | — | |
| SCHEMBL30285988 | 0.76 | ALOX15 (0.52) | — | |
| SCHEMBL12955382 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL21207694 | 0.73 | SIGMAR1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118103370-A | Fused tetracyclic quinazoline derivatives as ERBB2 inhibitors | 英莱汶公司 | 2024-05-28 | — | — | CN | disclosed |
| WO-2023077259-A1 | FUSED TETRACYCLIC QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 | ENLIVEN THERAPEUTICS, INC. (US) | 2023-05-11 | — | — | WO | disclosed |