⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19596 | 1.00 | — | — | |
| SCHEMBL10141206 | 1.00 | — | — | |
| Bromide SCHEMBL17747828 | 0.97 | — | — | |
| Ethyne SCHEMBL7797558 | 0.95 | — | — | |
| Methyl Alcohol SCHEMBL11864407 | 0.93 | — | — | |
| Pyrrole SCHEMBL9109044 | 0.91 | MAPT (0.39) | — | |
| Cyanamide SCHEMBL28845026 | 0.87 | ALDH1A1 (0.42) | — | |
| Aniline SCHEMBL29082335 | 0.85 | TSHR (0.44) | — | |
| SCHEMBL28725984 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL3862048 | 0.83 | KMT2A (0.36) | — |
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-20120035246-A1 | SINGLE-STRANDED NUCLEIC ACID MOLECULE HAVING NITROGEN-CONTAINING ALICYCLIC SKELETON | BONAC CORPORATION (JP) | 2012-02-09 | — | — | US | disclosed |