⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29455856 | 0.69 | ATM (0.39) | — | |
| SCHEMBL22117597 | 0.69 | ATM (0.39) | — | |
| SCHEMBL21989803 | 0.65 | SLC6A2 (0.35) | — | |
| SCHEMBL23924924 | 0.63 | HSP90AB1 (0.34) | — | |
| SCHEMBL29223654 | 0.63 | GBA1 (0.34) | — | |
| Hydrochloric Acid SCHEMBL8447638 | 0.63 | HSD17B10 (0.33) | — | |
| SCHEMBL8501839 | 0.60 | ESR1 (0.39) | — | |
| SCHEMBL18821141 | 0.59 | PIK3CD (0.44) | — | |
| SCHEMBL8609907 | 0.58 | GHSR (0.40) | — | |
| SCHEMBL27447357 | 0.58 | GHSR (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10821115-B2 | Compounds that inhibit Mcl-1 protein | AMGEN INC. (US) | 2020-11-03 | — | — | US | disclosed |
| US-20200171043-A1 | COMPOUNDS THAT INHIBIT MCL-1 PROTEIN | AMGEN INC. (US) | 2020-06-04 | — | — | US | disclosed |