Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Butane. 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 | |
|---|---|---|---|---|
| Butane SCHEMBL28544513 | 0.86 | — | — | |
| Butane SCHEMBL9292387 | 0.84 | TSHR (0.50) | — | |
| Butane SCHEMBL2470336 | 0.84 | TSHR (0.50) | — | |
| Butane SCHEMBL8628663 | 0.84 | TSHR (0.50) | — | |
| Butane SCHEMBL1734106 | 0.84 | — | — | |
| Butane SCHEMBL3593 | 0.84 | — | — | |
| Butane SCHEMBL27968500 | 0.80 | — | — | |
| Butane SCHEMBL11764235 | 0.77 | TSHR (0.44) | — | |
| Butane SCHEMBL7457770 | 0.77 | TSHR (0.44) | — | |
| Butane SCHEMBL8412888 | 0.77 | TSHR (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0037168-B1 | SHAPE SELECTIVE REACTIONS WITH GROUP IB MODIFIED ZEOLITE CATALYSTS | MOBIL OIL CORPORATION (US) | 1984-08-08 | — | — | EP | disclosed |
| US-4374045-A | FOR ALKYLATION OF AROMATIC HYDROCARBONS | MOBIL OIL CORPORATION (US) | 1983-02-15 | — | — | US | disclosed |
| EP-0037168-A1 | Shape selective reactions with group IB modified zeolite catalysts | MOBIL OIL CORPORATION (US) | 1981-10-07 | — | — | EP | disclosed |
| US-4276438-A | ALKYLATION AND DISPROPORTIONATION OF AROMATIC HYDROCARBONS | MOBIL OIL CORPORATION (US) | 1981-06-30 | — | — | US | disclosed |