⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL29072605 | 0.82 | — | — | |
| Pyridine SCHEMBL17687664 | 0.82 | TSHR (0.90) | — | |
| Benzene SCHEMBL28329907 | 0.82 | TSHR (0.90) | — | |
| Pyridine SCHEMBL26135943 | 0.82 | — | — | |
| Pyridine SCHEMBL64712 | 0.82 | — | — | |
| Pyridine SCHEMBL27805626 | 0.80 | — | — | |
| Pyridine SCHEMBL23854907 | 0.78 | — | — | |
| Pyridine SCHEMBL712082 | 0.78 | — | — | |
| Pyridine SCHEMBL6466367 | 0.78 | — | — | |
| Pyridine SCHEMBL29170734 | 0.78 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115448290-B | Method for synthesizing graphite alkyne and introducing two different structural units into graphite alkyne | 中国科学院化学研究所 | 2023-05-16 | — | — | CN | claimed |
| CN-115448290-A | Method for synthesizing graphdiyne and introducing two different structural units into graphdiyne | 中国科学院化学研究所 | 2022-12-09 | — | — | CN | claimed |
| CN-115448290-B | Method for synthesizing graphite alkyne and introducing two different structural units into graphite alkyne | 中国科学院化学研究所 | 2023-05-16 | — | — | CN | disclosed |
| CN-115448290-A | Method for synthesizing graphdiyne and introducing two different structural units into graphdiyne | 中国科学院化学研究所 | 2022-12-09 | — | — | CN | disclosed |