⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5082502 | 0.85 | — | — | |
| SCHEMBL5079488 | 0.82 | — | — | |
| SCHEMBL5085553 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL1237426 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL1236831 | 0.76 | — | — | |
| SCHEMBL17818143 | 0.75 | — | — | |
| SCHEMBL5155276 | 0.75 | — | — | |
| SCHEMBL5153153 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1237168 | 0.74 | — | — | |
| SCHEMBL5156972 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080097055-A1 | Process for Producing Propylene Polymer | MITSUI CHEMICALS, INC. (JP) | 2008-04-24 | — | — | US | disclosed |