⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11214699 | 0.85 | PLA2G1B (0.37) | — | |
| SCHEMBL4375423 | 0.83 | — | — | |
| SCHEMBL7379244 | 0.81 | PLA2G1B (0.43) | — | |
| SCHEMBL8488102 | 0.74 | PLA2G1B (0.38) | — | |
| SCHEMBL1272725 | 0.72 | OPRM1 (0.41) | — | |
| SCHEMBL10534194 | 0.72 | CA12 (0.37) | — | |
| SCHEMBL1579736 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL11297113 | 0.69 | — | — | |
| SCHEMBL3400691 | 0.69 | — | — | |
| SCHEMBL12806863 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012104346-A1 | A RELEASE AGENT, THE PREPARATION AND USE THEREOF | HENKEL AG & CO. KGAA (DE) | 2012-08-09 | — | — | WO | claimed |
| WO-2012103808-A1 | RELEASE AGENT, PREPARATION AND USE THEREOF | HENKEL AG & CO. KGAA (DE) | 2012-08-09 | — | — | WO | claimed |
| WO-2012103808-A1 | RELEASE AGENT, PREPARATION AND USE THEREOF | HENKEL AG & CO. KGAA (DE) | 2012-08-09 | — | — | WO | disclosed |
| WO-2012104346-A1 | A RELEASE AGENT, THE PREPARATION AND USE THEREOF | HENKEL AG & CO. KGAA (DE) | 2012-08-09 | — | — | WO | disclosed |