⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5595704 | 0.84 | TSHR (0.36) | — | |
| SCHEMBL3682666 | 0.82 | — | — | |
| SCHEMBL28305799 | 0.80 | TSHR (0.41) | — | |
| SCHEMBL10552922 | 0.80 | TSHR (0.41) | — | |
| SCHEMBL18869542 | 0.77 | — | — | |
| SCHEMBL18869769 | 0.77 | — | — | |
| SCHEMBL25310533 | 0.74 | — | — | |
| SCHEMBL4620362 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL16783905 | 0.74 | — | — | |
| SCHEMBL3481531 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5874661-A | Hydrocarbon treatment | EXXON CHEMICAL PATENTS INC. (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0703888-A1 | PROCESS FOR REDUCING THE DEGREE OF BRANCHING OF BRANCHED OLEFINS | EXXON CHEMICAL PATENTS INC (US) | 1996-04-03 | — | — | EP | disclosed |
| WO-1994029246-A1 | PROCESS FOR REDUCING THE DEGREE OF BRANCHING OF BRANCHED OLEFINS | EXXON CHEMICAL PATENTS INC. (US) | 1994-12-22 | — | — | WO | disclosed |