⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17897200 | 0.91 | — | — | |
| SCHEMBL23338570 | 0.86 | USP2 (0.31) | — | |
| SCHEMBL24719981 | 0.86 | — | — | |
| SCHEMBL20334425 | 0.85 | — | — | |
| SCHEMBL24719978 | 0.83 | DRD4 (0.31) | — | |
| SCHEMBL23338613 | 0.81 | — | — | |
| SCHEMBL27443334 | 0.79 | — | — | |
| SCHEMBL24865886 | 0.79 | — | — | |
| SCHEMBL20334424 | 0.78 | SOS1 (0.31) | — | |
| SCHEMBL22951144 | 0.78 | — | — |
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-2023244764-A1 | COMPOUNDS FOR THE TARGETED DEGRADATION OF SMARCA2 | C4 THERAPEUTICS, INC. (US) | 2023-12-21 | — | — | WO | disclosed |
| WO-2023283263-A1 | CITRATE SALT, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THE SAME | FOGHORN THERAPEUTICS INC. (US) | 2023-01-12 | — | — | WO | disclosed |
| WO-2022166920-A1 | PYRROLOPYRIDAZINE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 杭州中美华东制药有限公司 | 2022-08-11 | — | — | WO | disclosed |
| US-20210380574-A1 | ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER | VANDERBILT UNIVERSITY | 2021-12-09 | — | — | US | disclosed |