⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25541861 | 0.74 | ALDH1A1 (0.38) | — | |
| SCHEMBL24022655 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL22214028 | 0.73 | — | — | |
| SCHEMBL25576335 | 0.71 | — | — | |
| SCHEMBL35472 | 0.70 | — | — | |
| SCHEMBL1250524 | 0.69 | — | — | |
| SCHEMBL20698774 | 0.68 | — | — | |
| SCHEMBL35307 | 0.66 | — | — | |
| SCHEMBL17156490 | 0.66 | — | — | |
| SCHEMBL10254150 | 0.66 | — | — |
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-20230265098-A1 | ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 | ENLIVEN INC. | 2023-08-24 | — | — | US | disclosed |