⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15225125 | 0.95 | — | — | |
| SCHEMBL15224857 | 0.92 | FAAH (0.41) | — | |
| SCHEMBL15225187 | 0.87 | — | — | |
| SCHEMBL1759006 | 0.87 | CA12 (0.40) | — | |
| SCHEMBL15225078 | 0.85 | — | — | |
| SCHEMBL15224571 | 0.81 | CA2 (0.33) | — | |
| SCHEMBL1768632 | 0.79 | FAAH (0.32) | — | |
| SCHEMBL15224936 | 0.79 | KDM4E (0.30) | — | |
| SCHEMBL1759004 | 0.79 | FAAH (0.39) | — | |
| SCHEMBL15224966 | 0.76 | USP2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2497082-B1 | Fluorurethane as additive in a photopolymer formulation | BAYER IP GMBH (DE) | 2013-09-04 | — | — | EP | disclosed |