⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7052021 | 0.70 | — | — | |
| SCHEMBL7620947 | 0.67 | — | — | |
| SCHEMBL3663605 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL8769059 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL8769061 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL8769218 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL27546007 | 0.64 | — | — | |
| SCHEMBL17035445 | 0.62 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL4816927 | 0.61 | — | — | |
| Hydrochloric Acid SCHEMBL5836626 | 0.61 | — | — |
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-0811010-B1 | METALLOCENE COMPLEXES WITH CATIONIC BRIDGES | BASF AG (DE) | 2001-08-22 | — | — | EP | disclosed |
| US-5883277-A | OLEFIN POLYMERIZATION CATALYSTS; COMPLEXING, QUATERNIZATION | BASF AKTIENGESELLSCHAFT (DE) | 1999-03-16 | — | — | US | disclosed |