⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14612167 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL276134 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL11747746 | 0.78 | — | — | |
| SCHEMBL12574999 | 0.77 | TSHR (0.36) | — | |
| Hydrochloric Acid SCHEMBL22771821 | 0.76 | — | — | |
| SCHEMBL22170548 | 0.75 | — | — | |
| Butane SCHEMBL28139255 | 0.75 | TSHR (0.40) | — | |
| Hydrochloric Acid SCHEMBL22771778 | 0.73 | ANPEP (0.35) | — | |
| SCHEMBL26749802 | 0.73 | TP53 (0.30) | — | |
| SCHEMBL7776902 | 0.72 | ANPEP (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2476667-A2 | Aminoheteroaryl compounds as protein kinase inhibitors | Sugen, Inc. (US) | 2012-07-18 | — | — | EP | disclosed |