⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18079635 | 0.93 | ACHE (0.31) | — | |
| SCHEMBL18079412 | 0.81 | — | — | |
| SCHEMBL18079633 | 0.78 | — | — | |
| SCHEMBL18079409 | 0.74 | — | — | |
| SCHEMBL18079405 | 0.73 | ACHE (0.33) | — | |
| SCHEMBL2339202 | 0.73 | ACHE (0.33) | — | |
| SCHEMBL28154637 | 0.70 | SHBG (0.39) | — | |
| SCHEMBL622693 | 0.68 | — | — | |
| SCHEMBL14984133 | 0.68 | SHBG (0.38) | — | |
| SCHEMBL25939526 | 0.68 | ACHE (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9447481-B1 | Dipentene dimercaptan compositions and use thereof as a mining chemical collector | CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) | 2016-09-20 | — | — | US | disclosed |