⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24616334 | 0.81 | — | — | |
| SCHEMBL16637138 | 0.79 | — | — | |
| SCHEMBL29409338 | 0.79 | — | — | |
| SCHEMBL38660623 | 0.79 | GPR35 (0.33) | — | |
| SCHEMBL19115318 | 0.75 | — | — | |
| SCHEMBL24616361 | 0.75 | — | — | |
| SCHEMBL27100909 | 0.75 | — | — | |
| SCHEMBL24917739 | 0.73 | — | — | |
| SCHEMBL18053170 | 0.73 | HTT (0.35) | — | |
| SCHEMBL21379233 | 0.72 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4565579-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF KRAS | Theras, Inc. (US) | 2025-06-11 | — | — | EP | disclosed |
| EP-4373822-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | Theras Inc. (US) | 2024-05-29 | — | — | EP | disclosed |
| CN-117916238-A | Compositions and methods for inhibiting RAS | 瑟拉斯有限公司 | 2024-04-19 | — | — | CN | disclosed |
| WO-2023004102-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | THERAS, INC. (US) | 2023-01-26 | — | — | WO | disclosed |
| WO-2023004102-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | THERAS, INC. (US) | 2023-01-26 | — | — | WO | disclosed |