⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2378798 | 0.91 | — | — | |
| SCHEMBL28129262 | 0.88 | — | — | |
| Ammonia Solution, Strong SCHEMBL28525016 | 0.88 | — | — | |
| SCHEMBL1172459 | 0.88 | — | — | |
| SCHEMBL28840613 | 0.88 | — | — | |
| SCHEMBL30213367 | 0.88 | — | — | |
| Fluoride SCHEMBL28861536 | 0.86 | USP2 (0.30) | — | |
| SCHEMBL16563150 | 0.84 | — | — | |
| SCHEMBL27669078 | 0.81 | — | — | |
| SCHEMBL28295827 | 0.78 | CA1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109661369-A | Multi-element doping graphene and preparation method thereof | LG 电子株式会社 | 2019-04-19 | — | — | CN | disclosed |
| CN-104662011-B | Treat the chroman derivative of mitochondrial disease | 康尊知识产权公司 | 2017-09-29 | — | — | CN | disclosed |
| CN-105712917-A | Conjugated type sulfonium salt photoinitiator with double functions of photoinitiator and photosensitizer, preparation method and application of conjugated type sulfonium salt photoinitiator | 同济大学 | 2016-06-29 | — | — | CN | disclosed |