⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8612084 | 0.82 | HTR2A (0.38) | — | |
| Hydrochloric Acid SCHEMBL6731429 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL6295665 | 0.75 | — | — | |
| SCHEMBL8613587 | 0.74 | — | — | |
| SCHEMBL17186645 | 0.67 | HTR2A (0.39) | — | |
| SCHEMBL10774990 | 0.67 | HTR2A (0.43) | — | |
| SCHEMBL252162 | 0.67 | HTR2A (0.52) | — | |
| Hydrochloric Acid SCHEMBL8169416 | 0.66 | HTR2A (0.38) | — | |
| SCHEMBL300454 | 0.66 | GABRA1 (0.45) | — | |
| Hydrochloric Acid SCHEMBL6720542 | 0.65 | HTR2A (0.37) | — |
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-0685495-B1 | Method for using a supported metallocene catalyst system | PHILLIPS PETROLEUM CO (US) | 1998-04-08 | — | — | EP | claimed |
| WO-2002072641-A1 | METHOD FOR MAKING AND USING A METALLOCENE CATALYST SYSTEM | CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) | 2002-09-19 | — | — | WO | disclosed |