⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL9391716 | 0.96 | ACHE (0.58) | — | |
| Butane SCHEMBL1162354 | 0.96 | — | — | |
| Butane SCHEMBL7190424 | 0.92 | — | — | |
| Butane SCHEMBL9239398 | 0.92 | — | — | |
| Butane SCHEMBL8678771 | 0.92 | — | — | |
| Butane SCHEMBL147084 | 0.84 | — | — | |
| Carbamic Acid SCHEMBL27929645 | 0.84 | — | — | |
| Propanol SCHEMBL27377782 | 0.81 | — | — | |
| Propylamine SCHEMBL15456238 | 0.81 | — | — | |
| Hexane SCHEMBL7079135 | 0.81 | AKR1B1 (0.58) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6497809-B1 | PYROLYTIC CRACKING TUBE WHICH HAS BEEN TREATED WITH AN ANTIFOULANT FOR INHIBITING THE FORMATION OF COKE DURING THE CRACKING OF HYDROCARBONS. THE BENEFITS OF SUCH TREATMENT ARE ENHANCED BY THE DESULFURIZATION OF A SULFUR-CONTAINING | PHILLIPS PETROLEUM COMPANY | 2002-12-24 | — | — | US | disclosed |
| US-4397767-A | METAL DEPOSITS ON CRACKING CATALYSTS | PHILLIPS PETROLEUM COMPANY (US) | 1983-08-09 | — | — | US | disclosed |
| US-4324648-A | TO PERMIT REGENERATION OF CATALYST BY OXIDATION | PHILLIPS PETROLEUM COMPANY (US) | 1982-04-13 | — | — | US | disclosed |
| EP-0036661-A1 | Process for improving the properties of a cracking catalyst | PHILLIPS PETROLEUM COMPANY (US) | 1981-09-30 | — | — | EP | disclosed |