⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14715713 | 0.80 | — | — | |
| SCHEMBL2876989 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27553615 | 0.75 | — | — | |
| SCHEMBL723881 | 0.71 | — | — | |
| Carbimide SCHEMBL3149105 | 0.69 | KDM4E (0.30) | — | |
| SCHEMBL6538570 | 0.68 | CYP1A2 (0.34) | — | |
| SCHEMBL208634 | 0.67 | LMNA (0.31) | — | |
| SCHEMBL6689112 | 0.67 | — | — | |
| Carbimide SCHEMBL5167749 | 0.67 | — | — | |
| SCHEMBL5732238 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011014257-A9 | APPROACHES TO TREAT CANCER USING HB-EGF INHIBITORS SUCH AS MYRSINOIC ACID A | THE GENERAL HOSPITAL CORPORATION (US) | 2012-03-01 | — | — | WO | disclosed |
| WO-2011014257-A1 | APPROACHES TO TREAT CANCER USING HB-EGF INHIBITORS SUCH AS MYRSINOIC ACID A | THE GENERAL HOSPITAL CORPORATION (US) | 2011-02-03 | — | — | WO | disclosed |