⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4904006 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL1237179 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL1236042 | 0.87 | — | — | |
| SCHEMBL5082506 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL4904146 | 0.86 | — | — | |
| SCHEMBL5085559 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL4898034 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL1236308 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL1237194 | 0.82 | — | — | |
| SCHEMBL5152564 | 0.81 | — | — |
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 |