⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25165628 | 0.85 | NQO2 (0.35) | — | |
| SCHEMBL24616483 | 0.80 | — | — | |
| SCHEMBL31355653 | 0.78 | — | — | |
| SCHEMBL22029150 | 0.77 | — | — | |
| SCHEMBL29937105 | 0.77 | — | — | |
| SCHEMBL26967431 | 0.74 | — | — | |
| SCHEMBL24616382 | 0.74 | — | — | |
| SCHEMBL24616380 | 0.74 | — | — | |
| SCHEMBL22029169 | 0.74 | — | — | |
| SCHEMBL29810915 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240246954-A1 | COMPOSITIONS AND METHODS FOR INHIBITING KRAS | THERAS, INC. | 2024-07-25 | — | — | US | disclosed |
| EP-4294799-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | Theras Inc. (US) | 2023-12-27 | — | — | EP | disclosed |
| CN-117157290-A | Compositions and methods for inhibiting KRAS | 瑟拉斯有限公司 | 2023-12-01 | — | — | CN | disclosed |
| WO-2022177917-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | THERAS, INC. (US) | 2022-08-25 | — | — | WO | disclosed |