⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3841718 | 0.79 | NPC1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL1234501 | 0.73 | — | — | |
| SCHEMBL5155456 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL1237394 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL5265397 | 0.69 | — | — | |
| SCHEMBL3670574 | 0.69 | NPC1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL1235690 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL1236760 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL1234426 | 0.68 | — | — | |
| SCHEMBL8857104 | 0.66 | NPC1 (0.42) | — |
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 |