⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1333020 | 1.00 | — | — | |
| SCHEMBL13077210 | 0.76 | — | — | |
| SCHEMBL19034214 | 0.76 | — | — | |
| SCHEMBL2040360 | 0.74 | — | — | |
| SCHEMBL16277040 | 0.73 | — | — | |
| SCHEMBL10063436 | 0.73 | — | — | |
| SCHEMBL13563075 | 0.73 | — | — | |
| SCHEMBL19074617 | 0.73 | — | — | |
| SCHEMBL22103776 | 0.73 | — | — | |
| SCHEMBL16144188 | 0.70 | — | — |
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-20120220529-A1 | NITRIC OXIDE-BLOCKED CROSS-LINKED TETRAMERIC HEMOGLOBIN | IKOR, INC. | 2012-08-30 | — | — | US | disclosed |
| WO-2010100070-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-10 | — | — | WO | disclosed |