⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29441771 | 0.95 | TSHR (1.00) | — | |
| SCHEMBL34466311 | 0.95 | TSHR (1.00) | — | |
| SCHEMBL3052767 | 0.95 | TSHR (1.00) | — | |
| Pyridine SCHEMBL180431 | 0.95 | TSHR (1.00) | — | |
| Pyridine SCHEMBL1654468 | 0.95 | — | — | |
| Pyridine SCHEMBL9037865 | 0.95 | TSHR (1.00) | — | |
| Benzene SCHEMBL10751789 | 0.95 | TSHR (1.00) | — | |
| Pyridine SCHEMBL16 | 0.95 | — | — | |
| Benzene SCHEMBL1261317 | 0.95 | TSHR (1.00) | — | |
| Pyridine SCHEMBL933604 | 0.95 | TSHR (1.00) | — |
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-109021037-A | A kind of novel dihydrochalcone glucoside compound and its preparation method and application | 广东工业大学 | 2018-12-18 | — | — | CN | claimed |
| CN-105646554-A | One-dimensional cadmium complex single crystal and preparation method and application thereof | 天津师范大学 | 2016-06-08 | — | — | CN | claimed |
| CN-105367560-B | Tetracarboxylic dianhydride, polymer, aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal display element containing triazole | 捷恩智株式会社 | 2019-11-05 | — | — | CN | disclosed |
| CN-104058993-B | Photonasty diamines, polyamic acid or derivatives thereof, aligning agent for liquid crystal, liquid crystal orientation film and liquid crystal display cells | 捷恩智株式会社 | 2017-09-15 | — | — | CN | disclosed |