⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7150298 | 0.94 | — | — | |
| SCHEMBL28672883 | 0.89 | — | — | |
| Bromide SCHEMBL28573179 | 0.84 | — | — | |
| Bromide SCHEMBL28573180 | 0.84 | — | — | |
| SCHEMBL28576906 | 0.77 | — | — | |
| Guanidine SCHEMBL3282437 | 0.76 | — | — | |
| Guanidine SCHEMBL28264713 | 0.71 | — | — | |
| Urea SCHEMBL29456892 | 0.71 | — | — | |
| Guanidine SCHEMBL5613752 | 0.68 | — | — | |
| Guanidine SCHEMBL165720 | 0.68 | NOS2 (0.42) | — |
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-110534648-B | Organic small-molecule halide modified perovskite photoelectric functional material, and preparation and application thereof | 华中科技大学 | 2021-10-08 | — | — | CN | disclosed |