⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5308066 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL4667235 | 0.65 | — | — | |
| SCHEMBL4088672 | 0.63 | — | — | |
| SCHEMBL12933563 | 0.61 | — | — | |
| SCHEMBL4083558 | 0.61 | — | — | |
| SCHEMBL13602705 | 0.60 | — | — | |
| SCHEMBL17052746 | 0.58 | — | — | |
| SCHEMBL6280017 | 0.58 | — | — | |
| SCHEMBL13602708 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL25211773 | 0.56 | — | — |
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-5243079-A | Hexakis phosphine catalyst | SHELL OIL COMPANY (US) | 1993-09-07 | — | — | US | disclosed |
| US-5212135-A | Polymerization process | SHELL OIL COMPANY (US) | 1993-05-18 | — | — | US | disclosed |
| US-5169926-A | POLYMERIZATION OF CARBON MONOXIDE/OLEFIN WITH HEXAKIS PHOSPHINE LIGAND | SHELL OIL COMPANY (US) | 1992-12-08 | — | — | US | disclosed |