⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28900924 | 0.93 | TP53 (0.50) | — | |
| Benzene SCHEMBL27487122 | 0.93 | TP53 (0.50) | — | |
| Benzene SCHEMBL131360 | 0.93 | — | — | |
| Benzene SCHEMBL15054634 | 0.86 | TP53 (0.43) | — | |
| Benzene SCHEMBL28041840 | 0.86 | — | — | |
| Benzene SCHEMBL27673766 | 0.86 | — | — | |
| Benzene SCHEMBL27934618 | 0.86 | TP53 (0.43) | — | |
| Benzene SCHEMBL28105843 | 0.86 | — | — | |
| Benzene SCHEMBL29291301 | 0.80 | TP53 (0.38) | — | |
| Benzene SCHEMBL6932338 | 0.77 | TP53 (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113817174-B | Preparation method and application of in-situ hydrazide three-dimensional MOFs material | 江苏大学 | 2023-01-17 | — | — | CN | disclosed |
| CN-115044052-A | Rare earth metal-organic framework crystal material and preparation method and application thereof | 中国科学院福建物质结构研究所 | 2022-09-13 | — | — | CN | disclosed |