⚠ 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL7632619 | 0.92 | TSHR (0.54) | — | |
| Octane SCHEMBL9403184 | 0.88 | TSHR (0.61) | — | |
| Heptane SCHEMBL8517437 | 0.88 | TSHR (0.61) | — | |
| Heptane SCHEMBL8697580 | 0.88 | TSHR (0.61) | — | |
| Pentane SCHEMBL27560443 | 0.84 | LMNA (0.41) | — | |
| Pentane SCHEMBL28298725 | 0.82 | — | — | |
| Butane SCHEMBL11833863 | 0.82 | TDP1 (0.40) | — | |
| Butane SCHEMBL1735040 | 0.82 | — | — | |
| Butyl Alcohol SCHEMBL28320860 | 0.82 | — | — | |
| Hexane SCHEMBL7454865 | 0.80 | TSHR (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0535230-A1 | PROCESS FOR PRODUCING ETHYLENIC COPOLYMER | EXXON CHEMICAL PATENTS INC. (US) | 1993-04-07 | — | — | EP | claimed |
| CN-1659120-A | Process for converting methane to ethane | BP CHEM INT LTD (GB) | 2005-08-24 | — | — | CN | disclosed |