⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL641005 | 0.91 | — | — | |
| SCHEMBL27075356 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL27893792 | 0.86 | — | — | |
| Alcohol SCHEMBL6842076 | 0.78 | — | — | |
| Benzene SCHEMBL10979848 | 0.78 | LTA4H (0.32) | — | |
| Butane SCHEMBL4456008 | 0.76 | — | — | |
| Butane SCHEMBL4460833 | 0.75 | — | — | |
| Butane SCHEMBL6756371 | 0.74 | — | — | |
| Butane SCHEMBL11380005 | 0.68 | — | — | |
| Butane SCHEMBL30462055 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7612148-B2 | Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2009-11-03 | — | — | US | disclosed |
| US-20080146733-A1 | Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer | TSRC CORPORATION (TW) | 2008-06-19 | — | — | US | disclosed |
| US-4490559-A | SYNTHESIS GAS AND A GROUP VII COMPOUND CATALYST | SHELL OIL COMPANY (US) | 1984-12-25 | — | — | US | disclosed |
| US-4447648-A | USING SYNTHESIS GAS AND A GROUP VIII COMPOUND | UNION CARBIDE CORPORATION (US) | 1984-05-08 | — | — | US | disclosed |
| US-4429165-A | TRIVALENT ORGANOPHOSPHORUS AND ORGANONITROGEN COMPOUNDS AS PROMOTERS | UNION CARBIDE CORPORATION (US) | 1984-01-31 | — | — | US | disclosed |