⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30787780 | 1.00 | — | — | |
| SCHEMBL30197649 | 1.00 | — | — | |
| SCHEMBL29715655 | 1.00 | — | — | |
| SCHEMBL20399759 | 1.00 | — | — | |
| SCHEMBL16914521 | 1.00 | — | — | |
| SCHEMBL22799094 | 1.00 | — | — | |
| SCHEMBL21287261 | 1.00 | — | — | |
| SCHEMBL22595059 | 1.00 | — | — | |
| SCHEMBL22584620 | 1.00 | — | — | |
| SCHEMBL29959413 | 1.00 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022237649-A1 | EXOCYCLIC AMINO QUINAZOLINE DERIVATIVES AS KRAS INHIBITORS | NIKANG THERAPEUTICS, INC. (US) | 2022-11-17 | — | — | WO | disclosed |
| WO-2022236578-A1 | EXOCYCLIC AMINO QUINAZOLINE DERIVATIVES AS KRAS INHIBITORS | NIKANG THERAPEUTICS, INC. (US) | 2022-11-17 | — | — | WO | disclosed |
| WO-2020108590-A1 | PYRIMIDINE AND FIVE-MEMBERED NITROGEN HETEROCYCLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF | 上海拓界生物医药科技有限公司 | 2020-06-04 | — | — | WO | disclosed |