⚠ 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 SCHEMBL17687664 | 0.95 | TSHR (0.90) | — | |
| Benzene SCHEMBL28329907 | 0.95 | TSHR (0.90) | — | |
| Pyridine SCHEMBL26135943 | 0.95 | — | — | |
| Pyridine SCHEMBL64712 | 0.95 | — | — | |
| Pyridine SCHEMBL346198 | 0.95 | — | — | |
| Pyridine SCHEMBL1948151 | 0.95 | — | — | |
| Benzene SCHEMBL23044989 | 0.95 | TSHR (0.90) | — | |
| Pyridine SCHEMBL10896218 | 0.95 | TSHR (0.90) | — | |
| Pyridine SCHEMBL4610071 | 0.95 | TSHR (0.90) | — | |
| Pyridine SCHEMBL1239425 | 0.91 | TSHR (0.82) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117736445-A | Free radical polymer monocrystal constructed based on boron-nitrogen coordination bond, and preparation and application thereof | 浙江大学杭州国际科创中心 | 2024-03-22 | — | — | CN | claimed |
| CN-114736226-A | Method for simply preparing boron-nitrogen-pyridine compound | 南开大学 | 2022-07-12 | — | — | CN | claimed |
| CN-114685549-A | Preparation method of novel four-coordination bisboranofluorene fluorescent compound | 南开大学 | 2022-07-01 | — | — | CN | claimed |
| CN-117736445-A | Free radical polymer monocrystal constructed based on boron-nitrogen coordination bond, and preparation and application thereof | 浙江大学杭州国际科创中心 | 2024-03-22 | — | — | CN | disclosed |
| CN-117736445-A | Free radical polymer monocrystal constructed based on boron-nitrogen coordination bond, and preparation and application thereof | 浙江大学杭州国际科创中心 | 2024-03-22 | — | — | CN | disclosed |
| CN-114736226-A | Method for simply preparing boron-nitrogen-pyridine compound | 南开大学 | 2022-07-12 | — | — | CN | disclosed |
| CN-114736226-A | Method for simply preparing boron-nitrogen-pyridine compound | 南开大学 | 2022-07-12 | — | — | CN | disclosed |
| CN-114685549-A | Preparation method of novel four-coordination bisboranofluorene fluorescent compound | 南开大学 | 2022-07-01 | — | — | CN | disclosed |
| US-20210299702-A1 | METALLIC FILM MANUFACTURING METHOD AND METALLIC FILM | TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) | 2021-09-30 | — | — | US | disclosed |