⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21342603 | 0.83 | TSHR (0.38) | — | |
| SCHEMBL22837495 | 0.79 | TDP1 (0.33) | — | |
| SCHEMBL12837068 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL4552566 | 0.69 | — | — | |
| SCHEMBL21660973 | 0.68 | — | — | |
| SCHEMBL3234573 | 0.67 | — | — | |
| SCHEMBL12449732 | 0.62 | TDP1 (0.35) | — | |
| SCHEMBL12311143 | 0.62 | — | — | |
| SCHEMBL11004435 | 0.62 | — | — | |
| SCHEMBL2877 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10329270-B2 | Heteroaryl compounds as BTK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2019-06-25 | — | — | US | disclosed |
| US-10012650-B2 | Assays for BTK inhibitors | MERCK PATENT GMBH (DE) | 2018-07-03 | — | — | US | disclosed |
| US-20160264548-A1 | HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-09-15 | — | — | US | disclosed |
| US-20160169894-A1 | ASSAYS FOR BTK INHIBITORS | MERCK PATENT GMBH (DE) | 2016-06-16 | — | — | US | disclosed |