⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28584006 | 0.83 | CYP2D6 (0.32) | — | |
| SCHEMBL20327299 | 0.80 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL20063359 | 0.80 | — | — | |
| SCHEMBL27010396 | 0.76 | — | — | |
| SCHEMBL10648719 | 0.75 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL20179862 | 0.74 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL681140 | 0.73 | — | — | |
| SCHEMBL25135380 | 0.73 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL18756350 | 0.73 | EPHX1 (0.39) | — | |
| SCHEMBL25135386 | 0.73 | SLC6A2 (0.32) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230212180-A1 | SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) | 2023-07-06 | — | — | US | disclosed |
| US-20230202984-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2023-06-29 | — | — | US | disclosed |
| US-20230202984-A1 | THERAPEUTIC COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2023-06-29 | — | — | US | disclosed |
| WO-2023097195-A1 | THERAPEUTIC INDAZOLE COMPOUNDS AND METHODS OF USE IN THE TREATMENT OF CANCER | GENENTECH, INC. (US) | 2023-06-01 | — | — | WO | disclosed |
| US-20230167131-A1 | HETEROCYCLIC PAD4 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2023-06-01 | — | — | US | disclosed |
| US-20230133132-A1 | NAMPT MODULATORS | CYTOKINETICS, INC. | 2023-05-04 | — | — | US | disclosed |
| US-20230039553-A1 | CD73 COMPOUNDS | GILEAD SCIENCES, INC. | 2023-02-09 | — | — | US | disclosed |
| WO-2023283453-A1 | PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF | DICE ALPHA, INC. (US) | 2023-01-12 | — | — | WO | disclosed |
| WO-2021222522-A1 | CD73 INHIBITING 2,4-DIOXOPYRIMIDINE COMPOUNDS | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |
| WO-2021163254-A1 | HETEROCYCLIC PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-19 | — | — | WO | disclosed |