⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17260848 | 0.91 | SOS1 (0.41) | — | |
| SCHEMBL17260834 | 0.91 | SOS1 (0.41) | — | |
| SCHEMBL3639534 | 0.91 | SOS1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL3750550 | 0.89 | SOS1 (0.39) | — | |
| SCHEMBL24176431 | 0.85 | SOS1 (0.44) | — | |
| SCHEMBL3725427 | 0.79 | SOS1 (0.38) | — | |
| SCHEMBL31566610 | 0.79 | SOS1 (0.38) | — | |
| SCHEMBL31566868 | 0.77 | SOS1 (0.36) | — | |
| SCHEMBL71979 | 0.77 | SOS1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL26127261 | 0.76 | SOS1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022002102-A1 | QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | InventisBio Co., Ltd. (CN) | 2022-01-06 | — | — | WO | disclosed |