⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL936189 | 0.88 | CDK5 (0.31) | — | |
| SCHEMBL15112163 | 0.88 | CDK5 (0.31) | — | |
| SCHEMBL15112165 | 0.88 | CDK5 (0.31) | — | |
| Hydrochloric Acid SCHEMBL15112167 | 0.86 | KMT2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL15411559 | 0.86 | KMT2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL15411561 | 0.86 | KMT2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL10325311 | 0.86 | KMT2A (0.33) | — | |
| Formic Acid SCHEMBL28569163 | 0.84 | — | — | |
| Formic Acid SCHEMBL3329428 | 0.73 | — | — | |
| SCHEMBL2066341 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014011911-A2 | IRAK INHIBITORS AND USES THEREOF | NIMBUS IRIS, INC. (US) | 2014-01-16 | — | — | WO | disclosed |