⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15314465 | 0.90 | — | — | |
| SCHEMBL26257483 | 0.89 | CYP1A2 (0.32) | — | |
| SCHEMBL17976970 | 0.87 | CYP1A2 (0.36) | — | |
| SCHEMBL20751502 | 0.78 | — | — | |
| SCHEMBL21288351 | 0.78 | PLG (0.32) | — | |
| SCHEMBL75438 | 0.77 | — | — | |
| SCHEMBL16053853 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL15664034 | 0.74 | CYP2D6 (0.33) | — | |
| SCHEMBL27366666 | 0.74 | — | — | |
| SCHEMBL21180270 | 0.72 | ALDH1A1 (0.30) | — |
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-20120129873-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS, INC. (US) | 2012-05-24 | — | — | US | disclosed |