⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL17747992 | 0.67 | HRH4 (1.00) | — | |
| Bromide SCHEMBL5961626 | 0.67 | HRH4 (0.56) | — | |
| SCHEMBL12409523 | 0.63 | HRH4 (0.41) | — | |
| SCHEMBL9193111 | 0.63 | CYP1A2 (0.71) | — | |
| SCHEMBL29096739 | 0.63 | — | — | |
| SCHEMBL233483 | 0.63 | — | — | |
| Bromide SCHEMBL8582620 | 0.63 | HRH4 (0.77) | — | |
| SCHEMBL7566193 | 0.61 | — | — | |
| SCHEMBL6591542 | 0.61 | — | — | |
| Bromide SCHEMBL2470982 | 0.61 | — | — |
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-9610275-B2 | Nitrile derivatives and their pharmaceutical use and compositions | CELLCEUTIX CORPORATION (US) | 2017-04-04 | — | — | US | disclosed |