⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5081342 | 0.83 | — | — | |
| SCHEMBL28355410 | 0.82 | — | — | |
| SCHEMBL29000989 | 0.77 | — | — | |
| SCHEMBL11743626 | 0.77 | — | — | |
| SCHEMBL6478022 | 0.77 | OPRM1 (0.39) | — | |
| SCHEMBL28754235 | 0.77 | CA1 (0.33) | — | |
| SCHEMBL1109664 | 0.76 | — | — | |
| SCHEMBL48138 | 0.76 | LMNA (0.32) | — | |
| SCHEMBL144933 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL734600 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116148363-A | Analysis method of alkaloid components in traditional Chinese medicine | 中国科学院大连化学物理研究所 | 2023-05-23 | — | — | CN | claimed |
| CN-116148363-A | Analysis method of alkaloid components in traditional Chinese medicine | 中国科学院大连化学物理研究所 | 2023-05-23 | — | — | CN | disclosed |
| CN-110678160-B | Dental adhesive composition, its preparation and use | 3M创新有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-114618459-A | Mixed-mode chromatographic stationary phase containing polyhalogen functional groups and preparation and application thereof | 中国科学院大连化学物理研究所 | 2022-06-14 | — | — | CN | disclosed |
| CN-114618455-A | Reversed phase chromatographic stationary phase embedded by multi-polar functional groups and preparation and application thereof | 中国科学院大连化学物理研究所 | 2022-06-14 | — | — | CN | disclosed |