⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24784952 | 1.00 | — | — | |
| SCHEMBL25541723 | 0.80 | — | — | |
| SCHEMBL25541722 | 0.80 | — | — | |
| SCHEMBL24254965 | 0.80 | — | — | |
| SCHEMBL25636413 | 0.80 | — | — | |
| SCHEMBL24917584 | 0.80 | CYP2D6 (0.33) | — | |
| SCHEMBL25957077 | 0.79 | — | — | |
| SCHEMBL24917582 | 0.79 | — | — | |
| SCHEMBL24917549 | 0.79 | — | — | |
| SCHEMBL26786503 | 0.79 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023225252-A1 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | THERAS, INC. (US) | 2023-11-23 | — | — | WO | disclosed |
| WO-2023133183-A1 | KRAS INHIBITORS | THERAS, INC. (US) | 2023-07-13 | — | — | WO | disclosed |
| WO-2023133181-A1 | KRAS INHIBITORS | THERAS, INC. (US) | 2023-07-13 | — | — | WO | disclosed |
| WO-2023004102-A2 | COMPOSITIONS AND METHODS FOR INHIBITION OF RAS | THERAS, INC. (US) | 2023-01-26 | — | — | WO | disclosed |