⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23278190 | 0.83 | — | — | |
| SCHEMBL19366229 | 0.77 | CES2 (0.31) | — | |
| SCHEMBL26436416 | 0.75 | — | — | |
| SCHEMBL24631049 | 0.75 | — | — | |
| SCHEMBL22213800 | 0.71 | — | — | |
| SCHEMBL29301787 | 0.71 | FAAH (0.31) | — | |
| SCHEMBL25159797 | 0.68 | FFAR3 (0.33) | — | |
| SCHEMBL23982956 | 0.66 | — | — | |
| SCHEMBL27405974 | 0.64 | — | — | |
| SCHEMBL20804073 | 0.63 | CES2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10988451-B2 | MCL-1 inhibitors | GILEAD SCIENCES, INC. (US) | 2021-04-27 | — | — | US | disclosed |
| US-20200331870-A1 | MCL-1 INHIBITORS | GILEAD SCIENCES, INC. | 2020-10-22 | — | — | US | disclosed |
| US-10703733-B2 | MCL-1 inhibitors | GILEAD SCIENCES, INC. (US) | 2020-07-07 | — | — | US | disclosed |
| US-20190352271-A1 | MCL-1 INHIBITORS | GILEAD SCIENCES, INC. | 2019-11-21 | — | — | US | disclosed |