⚠ 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 SCHEMBL5948497 | 0.85 | — | — | |
| SCHEMBL7105711 | 0.77 | — | — | |
| SCHEMBL6463141 | 0.75 | — | — | |
| SCHEMBL6455086 | 0.75 | — | — | |
| SCHEMBL813995 | 0.72 | LMNA (0.33) | — | |
| SCHEMBL27473046 | 0.71 | CYP19A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL812103 | 0.71 | LMNA (0.32) | — | |
| Hydrochloric Acid SCHEMBL28723724 | 0.71 | LMNA (0.32) | — | |
| Hydrochloric Acid SCHEMBL5949047 | 0.70 | — | — | |
| Chloromethane SCHEMBL8149605 | 0.69 | LMNA (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1053263-B1 | CATALYST SYSTEM | BASELL POLYOLEFINE GMBH (DE) | 2003-10-01 | — | — | EP | claimed |
| US-6949614-B1 | Catalyst system | BASELL POLYOLEFINE GMBH (DE) | 2005-09-27 | — | — | US | disclosed |