⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17226154 | 0.79 | — | — | |
| SCHEMBL3674964 | 0.78 | — | — | |
| SCHEMBL30689684 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL1602541 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL11498329 | 0.72 | — | — | |
| SCHEMBL23432813 | 0.72 | — | — | |
| SCHEMBL3786123 | 0.70 | TDP1 (0.36) | — | |
| SCHEMBL8315539 | 0.69 | — | — | |
| SCHEMBL11617998 | 0.68 | TSHR (0.35) | — | |
| SCHEMBL29447173 | 0.68 | TSHR (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3412657-B1 | NOVEL IRREVERSIBLE BRUTON'S TYROSINE KINASE INHIBITOR | HEFEI INST PHYSICAL SCI CAS (CN) | 2021-11-24 | — | — | EP | disclosed |
| EP-2705550-B1 | COMPOUNDS FOR ELECTRONIC DEVICES | MERCK PATENT GMBH (DE) | 2017-07-05 | — | — | EP | disclosed |