⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20325688 | 0.78 | — | — | |
| SCHEMBL25953066 | 0.78 | L3MBTL1 (0.33) | — | |
| SCHEMBL2758654 | 0.78 | L3MBTL1 (0.33) | — | |
| SCHEMBL24536431 | 0.78 | L3MBTL1 (0.33) | — | |
| SCHEMBL23114277 | 0.78 | L3MBTL1 (0.33) | — | |
| SCHEMBL24993152 | 0.76 | — | — | |
| SCHEMBL10213112 | 0.75 | — | — | |
| SCHEMBL19997520 | 0.75 | — | — | |
| SCHEMBL20113145 | 0.72 | — | — | |
| SCHEMBL21101276 | 0.72 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10329270-B2 | Heteroaryl compounds as BTK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2019-06-25 | — | — | US | disclosed |