⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24653489 | 1.00 | — | — | |
| SCHEMBL24653490 | 1.00 | — | — | |
| SCHEMBL19164023 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL10197405 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL10197407 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL24653363 | 0.73 | — | — | |
| SCHEMBL29133310 | 0.72 | — | — | |
| SCHEMBL2526677 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL19164010 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL2744382 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240247015-A1 | PHOSPHORUS DERIVATIVES AS NOVEL SOS1 INHIBITORS | BAYER AKTIENGESELLSCHAFT (DE) | 2024-07-25 | — | — | US | disclosed |