⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8660932 | 0.93 | DRD2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL8661977 | 0.85 | — | — | |
| SCHEMBL8663277 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL8661979 | 0.82 | — | — | |
| Chlorobenzene SCHEMBL8672252 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL8171986 | 0.78 | BCHE (0.35) | — | |
| Hydrochloric Acid SCHEMBL8160482 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8666323 | 0.78 | — | — | |
| SCHEMBL8664647 | 0.78 | — | — | |
| SCHEMBL6350489 | 0.78 | BCHE (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 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 |