⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28890190 | 0.68 | — | — | |
| SCHEMBL5033001 | 0.68 | — | — | |
| Phosphine SCHEMBL28281784 | 0.67 | — | — | |
| SCHEMBL30407253 | 0.64 | — | — | |
| SCHEMBL5944365 | 0.62 | — | — | |
| SCHEMBL4108 | 0.52 | — | — | |
| SCHEMBL29825854 | 0.50 | ALDH1A1 (0.39) | — | |
| SCHEMBL19720137 | 0.50 | — | — | |
| SCHEMBL17165161 | 0.50 | — | — | |
| SCHEMBL6182164 | 0.47 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117337175-A | Combination Therapy for Cancer Treatment | 密歇根大学董事会 | 2024-01-02 | — | — | CN | claimed |
| CN-117337175-A | Combination Therapy for Cancer Treatment | 密歇根大学董事会 | 2024-01-02 | — | — | CN | disclosed |
| CN-115768423-A | Inhibitors of EGFR, KRAS, BRAF and other targets and uses thereof | 密歇根大学董事会 | 2023-03-07 | — | — | CN | disclosed |
| US-20080306102-A1 | NOVEL SPIROOXYINDOLE COMPOUNDS AND DRUGS CONTAINING SAME | KOWA CO., LTD. (JP) | 2008-12-11 | — | — | US | disclosed |