⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21967069 | 1.00 | — | — | |
| SCHEMBL18494391 | 0.88 | STK17B (0.41) | — | |
| SCHEMBL20512302 | 0.88 | STK17B (0.41) | — | |
| SCHEMBL15238303 | 0.88 | STK17B (0.41) | — | |
| SCHEMBL2726114 | 0.88 | STK17B (0.41) | — | |
| SCHEMBL17595889 | 0.85 | STK17B (0.31) | — | |
| SCHEMBL21967074 | 0.84 | STK17B (0.33) | — | |
| SCHEMBL21967076 | 0.82 | RPS6KB1 (0.33) | — | |
| SCHEMBL21967077 | 0.82 | RPS6KB1 (0.33) | — | |
| SCHEMBL2725643 | 0.80 | STK17B (0.38) | — |
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-20210395259-A1 | CDK INHIBITORS | G1 THERAPEUTICS, INC. (US) | 2021-12-23 | — | — | US | disclosed |
| US-10660896-B2 | Transient protection of normal cells during chemotherapy | GI Therapeutics, Inc. (US) | 2020-05-26 | — | — | US | disclosed |