⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL770618 | 0.72 | — | — | |
| SCHEMBL14769574 | 0.67 | — | — | |
| SCHEMBL29012039 | 0.67 | — | — | |
| SCHEMBL27929693 | 0.65 | — | — | |
| SCHEMBL31613221 | 0.64 | CYP3A4 (0.36) | — | |
| SCHEMBL31613220 | 0.64 | CYP3A4 (0.36) | — | |
| SCHEMBL1079872 | 0.62 | — | — | |
| SCHEMBL240693 | 0.62 | — | — | |
| SCHEMBL245682 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL31263634 | 0.62 | CYP3A4 (0.35) | — |
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-112300031-A | Preparation method of difluoromethyl substituted hydrazone compound | 浙江工业大学 | 2021-02-02 | — | — | CN | disclosed |