⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26487771 | 0.72 | EPHX2 (0.37) | — | |
| SCHEMBL1717640 | 0.72 | EPHX2 (0.36) | — | |
| SCHEMBL11668299 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL15540415 | 0.70 | EPHX2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL15550997 | 0.70 | EPHX2 (0.35) | — | |
| SCHEMBL7220261 | 0.69 | — | — | |
| SCHEMBL4885580 | 0.68 | — | — | |
| SCHEMBL6677245 | 0.67 | TSHR (0.33) | — | |
| SCHEMBL7220256 | 0.67 | — | — | |
| SCHEMBL6676256 | 0.66 | — | — |
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-20230058545-A1 | HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2023-02-23 | — | — | US | disclosed |
| US-20170291890-A1 | HETEROCYCLE SUBSTITUTED AMINO-PYRIDINE COMPOUNDS AND METHODS OF USE THEREOF | Epizyme, Inc. | 2017-10-12 | — | — | US | disclosed |