⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8665289 | 0.93 | — | — | |
| SCHEMBL8664559 | 0.89 | — | — | |
| SCHEMBL8663364 | 0.87 | — | — | |
| Ethyl Chloride SCHEMBL8668973 | 0.86 | — | — | |
| SCHEMBL8665205 | 0.80 | — | — | |
| Chlorobenzene SCHEMBL8669523 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL6649069 | 0.77 | — | — | |
| SCHEMBL6648745 | 0.75 | — | — | |
| SCHEMBL6651609 | 0.74 | — | — | |
| SCHEMBL6650804 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5744666-A | Process for preparing an alkynyl fulvene group containing compound and said compound | PHILLIPS PETROLEUM COMPANY (US) | 1998-04-28 | — | — | US | disclosed |
| US-5728908-A | Process for preparing a bridged ligand and said bridged ligand | PHILLIPS PETROLEUM COMPANY (US) | 1998-03-17 | — | — | US | disclosed |
| US-5631203-A | Metallocene compounds and preparation thereof containing terminal alkynes | PHILLIPS PETROLEUM COMPANY (US) | 1997-05-20 | — | — | US | disclosed |