⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7159928 | 0.87 | — | — | |
| SCHEMBL6559823 | 0.78 | — | — | |
| SCHEMBL8613587 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6720589 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6295758 | 0.74 | — | — | |
| SCHEMBL28219694 | 0.72 | CYP1A2 (0.36) | — | |
| Hydrochloric Acid SCHEMBL8160475 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6833271 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6294390 | 0.70 | — | — | |
| SCHEMBL6294392 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6534609-B2 | Making by combining an organoaluminoxane and a metallocene having olefinic unsaturated substituent(s) in an aliphatic liquid, prepolymerizing olefin(s) to produce a prepolymerized solid catalyst and separating from the liquid | CHEVRON PHILLIPS CHEMICAL COMPANY LP | 2003-03-18 | — | — | US | claimed |
| EP-0685495-B1 | Method for using a supported metallocene catalyst system | PHILLIPS PETROLEUM CO (US) | 1998-04-08 | — | — | EP | claimed |