⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9012386 | 0.84 | — | — | |
| SCHEMBL6475931 | 0.81 | UTS2R (0.40) | — | |
| SCHEMBL9012030 | 0.81 | ADRA1A (0.36) | — | |
| SCHEMBL9327541 | 0.80 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL8517908 | 0.80 | ADRA2A (0.33) | — | |
| SCHEMBL9011902 | 0.80 | AR (0.36) | — | |
| SCHEMBL9012162 | 0.77 | TAAR1 (0.35) | — | |
| SCHEMBL6528639 | 0.77 | IDO1 (0.33) | — | |
| SCHEMBL6483558 | 0.77 | ADRA2A (0.31) | — | |
| SCHEMBL9012040 | 0.77 | HDAC1 (0.38) | — |
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-0742810-A1 | RUBBER COMPOUNDING FORMULATION AND METHOD | UNIROYAL CHEMICAL COMPANY, Inc. (US) | 1996-11-20 | — | — | EP | disclosed |
| WO-1995021214-A1 | RUBBER COMPOUNDING FORMULATION AND METHOD | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1995-08-10 | — | — | WO | disclosed |