⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13240336 | 0.74 | — | — | |
| SCHEMBL13716925 | 0.74 | — | — | |
| SCHEMBL24092098 | 0.73 | SLC6A4 (0.37) | — | |
| SCHEMBL24092088 | 0.73 | SLC6A4 (0.37) | — | |
| SCHEMBL29444030 | 0.71 | SLC6A4 (0.35) | — | |
| SCHEMBL13725538 | 0.69 | SLC6A4 (0.42) | — | |
| SCHEMBL10005572 | 0.69 | SLC6A4 (0.42) | — | |
| SCHEMBL104329 | 0.69 | — | — | |
| SCHEMBL2063015 | 0.69 | CACNA1F (0.32) | — | |
| SCHEMBL21022851 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023092107-A1 | CDK2 INHIBITORS AND METHODS OF MAKING AND USING SAME | BLUEPRINT MEDICINES CORPORATION (US) | 2023-05-25 | — | — | WO | disclosed |
| US-11242480-B2 | Thiol adducts for corrosion inhibition | CHAMPIONX USA INC. (US) | 2022-02-08 | — | — | US | disclosed |
| WO-2021231782-A1 | PERK INHIBITORS FOR TREATING VIRAL INFECTIONS | HIBERCELL, INC. (US) | 2021-11-18 | — | — | WO | disclosed |
| US-5158974-A | PREPARATION OF N-ALKYL- AND N,N-DIALKYLDIAMINOETHANES | BASF AKTIENGESELLSCHAFT (DE) | 1992-10-27 | — | — | US | disclosed |