⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28630304 | 0.95 | TSHR (0.43) | — | |
| SCHEMBL1236004 | 0.95 | — | — | |
| Water SCHEMBL28089248 | 0.91 | — | — | |
| Benzene SCHEMBL28211964 | 0.84 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL28188631 | 0.81 | — | — | |
| SCHEMBL29180764 | 0.75 | — | — | |
| SCHEMBL27819963 | 0.68 | — | — | |
| SCHEMBL28328260 | 0.68 | — | — | |
| SCHEMBL28822172 | 0.67 | — | — | |
| SCHEMBL5610662 | 0.67 | TSHR (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111065602-A | Process for preparing pentachlorodisilane and purified reaction products containing the same | DDP特种电子材料美国第9有限公司 | 2020-04-24 | — | — | CN | disclosed |
| CN-1030452-C | Process for preparing 2-aminopyrimidinone derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1995-12-06 | — | — | CN | disclosed |
| CN-1044099-A | The 2-aminopyrimidinone derivatives | JANSSEN PHARMACEUTICA NV (BE) | 1990-07-25 | — | — | CN | disclosed |