⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24672104 | 0.76 | — | — | |
| SCHEMBL16186388 | 0.75 | LRRK2 (0.46) | — | |
| SCHEMBL20005608 | 0.73 | ADK (0.46) | — | |
| SCHEMBL2317665 | 0.72 | BRD4 (0.31) | — | |
| SCHEMBL20078760 | 0.71 | — | — | |
| SCHEMBL1050296 | 0.68 | CYP2C19 (0.45) | — | |
| SCHEMBL2235627 | 0.67 | POLB (0.38) | — | |
| SCHEMBL19860534 | 0.67 | PTGDR2 (0.31) | — | |
| SCHEMBL2881500 | 0.67 | L3MBTL1 (0.46) | — | |
| SCHEMBL30668758 | 0.67 | L3MBTL1 (0.46) | — |
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-11820775-B2 | Pyrrolopyrimidine ITK inhibitors | ACLARIS THERAPEUTICS, INC. (US) | 2023-11-21 | — | — | US | disclosed |
| US-11447505-B1 | Pyrrolo[2,3-b]pyridine compounds and their use in the treatment of cancer | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2022-09-20 | — | — | US | disclosed |