⚠ 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 SCHEMBL6065309 | 0.99 | — | — | |
| Hydrochloric Acid SCHEMBL1022140 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL1024817 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL1022814 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL1023942 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL1024277 | 0.91 | EDNRB (0.32) | — | |
| Hydrochloric Acid SCHEMBL1027071 | 0.89 | — | — | |
| SCHEMBL6056152 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL1023744 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL1024353 | 0.88 | — | — |
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-1455938-B1 | ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PREPARATION OF POLYOLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2011-01-12 | — | — | EP | disclosed |