⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1072121 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL7063114 | 0.75 | — | — | |
| Benzene SCHEMBL10951905 | 0.72 | — | — | |
| SCHEMBL1086254 | 0.71 | — | — | |
| SCHEMBL1540681 | 0.71 | — | — | |
| SCHEMBL1540679 | 0.71 | — | — | |
| SCHEMBL1086252 | 0.71 | — | — | |
| SCHEMBL1112348 | 0.71 | — | — | |
| SCHEMBL1112710 | 0.71 | — | — | |
| SCHEMBL1112552 | 0.71 | — | — |
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-5183868-A | Coordination catalyst | PHILLIPS PETROLEUM COMPANY (US) | 1993-02-02 | — | — | US | claimed |
| US-5183868-A | Coordination catalyst | PHILLIPS PETROLEUM COMPANY (US) | 1993-02-02 | — | — | US | disclosed |
| US-5183868-A | Coordination catalyst | PHILLIPS PETROLEUM COMPANY (US) | 1993-02-02 | — | — | US | disclosed |