⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276455 | 0.69 | PIK3CD (0.35) | — | |
| SCHEMBL178547 | 0.67 | — | — | |
| SCHEMBL3184787 | 0.64 | — | — | |
| SCHEMBL22388730 | 0.64 | — | — | |
| SCHEMBL458834 | 0.64 | — | — | |
| SCHEMBL2921685 | 0.64 | — | — | |
| SCHEMBL1779618 | 0.64 | — | — | |
| SCHEMBL3489137 | 0.64 | — | — | |
| SCHEMBL104118 | 0.64 | PIK3CD (0.32) | — | |
| SCHEMBL11930073 | 0.64 | PIK3CD (0.32) | — |
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-111020526-A | Method for preparing single-layer and multi-layer vanadium diselenide materials through alternative reaction | 中国科学院上海技术物理研究所 | 2020-04-17 | — | — | CN | disclosed |