⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31122971 | 1.00 | — | — | |
| SCHEMBL22220706 | 0.86 | — | — | |
| SCHEMBL29680399 | 0.86 | — | — | |
| SCHEMBL29634811 | 0.83 | — | — | |
| SCHEMBL22220380 | 0.83 | — | — | |
| SCHEMBL24757261 | 0.83 | — | — | |
| SCHEMBL22554909 | 0.83 | — | — | |
| SCHEMBL30760132 | 0.83 | — | — | |
| SCHEMBL22555250 | 0.80 | — | — | |
| SCHEMBL22555230 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240239813-A1 | KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF | Risen (Suzhou) Pharma Tech Co., Ltd. (CN) | 2024-07-18 | — | — | US | disclosed |
| US-20240239813-A1 | KRAS INHIBITORS AND PHARMACEUTICAL USES THEREOF | Risen (Suzhou) Pharma Tech Co., Ltd. (CN) | 2024-07-18 | — | — | US | disclosed |
| WO-2023133183-A1 | KRAS INHIBITORS | THERAS, INC. (US) | 2023-07-13 | — | — | WO | disclosed |