⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25811 | 0.80 | — | — | |
| Isobutane SCHEMBL24703 | 0.67 | — | — | |
| SCHEMBL7254371 | 0.66 | ALDH1A1 (0.32) | — | |
| Isobutane SCHEMBL8120188 | 0.64 | — | — | |
| SCHEMBL424239 | 0.64 | TAAR1 (0.47) | — | |
| SCHEMBL16685330 | 0.63 | — | — | |
| SCHEMBL11372760 | 0.63 | — | — | |
| SCHEMBL6681164 | 0.63 | — | — | |
| SCHEMBL3898888 | 0.63 | — | — | |
| SCHEMBL28157076 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-108495898-A | Double imide with rigidity 2,2 '-biphenylyloxies bridge joint | 巴斯夫欧洲公司 | 2018-09-04 | — | — | CN | disclosed |