⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21128650 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL18806171 | 0.69 | ROCK2 (0.31) | — | |
| SCHEMBL17886522 | 0.69 | SOS1 (0.36) | — | |
| SCHEMBL19498072 | 0.67 | CRHBP (0.38) | — | |
| SCHEMBL10369569 | 0.66 | — | — | |
| SCHEMBL29179949 | 0.66 | — | — | |
| SCHEMBL14681202 | 0.65 | — | — | |
| SCHEMBL29543419 | 0.64 | — | — | |
| SCHEMBL21128461 | 0.64 | GRIN2D (0.32) | — | |
| SCHEMBL16767673 | 0.63 | MAPT (0.38) | — |
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-20230128824-A1 | SPIRO RING-CONTAINING QUINAZOLINE COMPOUND | Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) | 2023-04-27 | — | — | US | disclosed |
| US-20230128824-A1 | SPIRO RING-CONTAINING QUINAZOLINE COMPOUND | Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) | 2023-04-27 | — | — | US | disclosed |