Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Isobutane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL27300777 | 0.83 | — | — | |
| Isobutane SCHEMBL11313074 | 0.82 | TSHR (0.50) | — | |
| Isobutane SCHEMBL1022735 | 0.82 | — | — | |
| Isobutane SCHEMBL20490082 | 0.82 | TSHR (0.50) | — | |
| Isobutane SCHEMBL7754023 | 0.82 | TSHR (0.50) | — | |
| Isobutane SCHEMBL2162423 | 0.82 | — | — | |
| Isobutane SCHEMBL768 | 0.82 | — | — | |
| Isobutane SCHEMBL30536981 | 0.82 | — | — | |
| Isobutane SCHEMBL23699700 | 0.73 | — | — | |
| Isobutane SCHEMBL1821535 | 0.73 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0889851-A4 | ALUMINUM PROMOTED HYDROGENATION OF ALKYLATION SLUDGE FOR ALUMINUM CHLORIDE RECOVERY | KERR MC GEE CHEM CORP (US) | 2000-05-03 | — | — | EP | claimed |
| US-6004519-A | FORMING MIXTURE OF SLUDGE COMPLEX AND ALUMINUM CATALYST, REACTING WITH HYDROGEN TO FORM ALUMINUM CHLORIDE | KERR-MCGEE CORPORATION (US) | 1999-12-21 | — | — | US | claimed |
| CN-1212669-A | Aluminium promoted hydrogenation of alkylation sludge for aluminium chloride recovery | KERR MC GEE CHEM CORP (US) | 1999-03-31 | — | — | CN | claimed |
| EP-0889851-A1 | ALUMINUM PROMOTED HYDROGENATION OF ALKYLATION SLUDGE FOR ALUMINUM CHLORIDE RECOVERY | Kerr-McGee Corporation (US) | 1999-01-13 | — | — | EP | claimed |
| WO-1998029340-A1 | ALUMINUM PROMOTED HYDROGENATION OF ALKYLATION SLUDGE FOR ALUMINUM CHLORIDE RECOVERY | KERR-MCGEE CORPORATION (US) | 1998-07-09 | — | — | WO | claimed |
| EP-0889851-A4 | ALUMINUM PROMOTED HYDROGENATION OF ALKYLATION SLUDGE FOR ALUMINUM CHLORIDE RECOVERY | KERR MC GEE CHEM CORP (US) | 2000-05-03 | — | — | EP | disclosed |
| US-6004519-A | FORMING MIXTURE OF SLUDGE COMPLEX AND ALUMINUM CATALYST, REACTING WITH HYDROGEN TO FORM ALUMINUM CHLORIDE | KERR-MCGEE CORPORATION (US) | 1999-12-21 | — | — | US | disclosed |
| CN-1212669-A | Aluminium promoted hydrogenation of alkylation sludge for aluminium chloride recovery | KERR MC GEE CHEM CORP (US) | 1999-03-31 | — | — | CN | disclosed |
| EP-0889851-A1 | ALUMINUM PROMOTED HYDROGENATION OF ALKYLATION SLUDGE FOR ALUMINUM CHLORIDE RECOVERY | Kerr-McGee Corporation (US) | 1999-01-13 | — | — | EP | disclosed |
| WO-1998029340-A1 | ALUMINUM PROMOTED HYDROGENATION OF ALKYLATION SLUDGE FOR ALUMINUM CHLORIDE RECOVERY | KERR-MCGEE CORPORATION (US) | 1998-07-09 | — | — | WO | disclosed |