⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5155875 | 0.94 | — | — | |
| SCHEMBL5269977 | 0.90 | — | — | |
| SCHEMBL3275104 | 0.80 | — | — | |
| SCHEMBL5157127 | 0.78 | NOD2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL1236633 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL1236559 | 0.74 | — | — | |
| SCHEMBL17818136 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL1235928 | 0.72 | CYP1A2 (0.31) | — | |
| SCHEMBL5157394 | 0.72 | — | — | |
| SCHEMBL3274048 | 0.71 | NOD2 (0.33) | — |
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-1860149-A1 | PROPYLENE POLYMER COMPOSITION, USE THEREOF, AND PROCESS FOR PRODUCTION OF THERMOPLASTIC POLYMER COMPOSITION | Mitsui Chemicals, Inc. (JP) | 2007-11-28 | — | — | EP | disclosed |