⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19403555 | 0.83 | — | — | |
| SCHEMBL10222094 | 0.73 | HTR1A (0.34) | — | |
| SCHEMBL24035088 | 0.73 | HTR1A (0.34) | — | |
| SCHEMBL10222090 | 0.73 | HTR1A (0.34) | — | |
| SCHEMBL19652 | 0.73 | HTR1A (0.34) | — | |
| SCHEMBL12284694 | 0.72 | — | — | |
| SCHEMBL1901009 | 0.71 | — | — | |
| SCHEMBL25154708 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL25154361 | 0.70 | TSHR (0.40) | — | |
| SCHEMBL22142057 | 0.69 | CHRM2 (0.32) | — |
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-20180037540-A1 | DIAZADIENYL COMPOUND, RAW MATERIAL FOR FORMING THIN FILM, METHOD FOR PRODUCING THIN FILM, AND DIAZADIENE COMPOUND | ADEKA CORPORATION (JP) | 2018-02-08 | — | — | US | disclosed |