⚠ 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 | |
|---|---|---|---|---|
| Pyrimidine SCHEMBL27837216 | 0.95 | — | — | |
| Pyrimidine SCHEMBL27611773 | 0.95 | — | — | |
| Pyrimidine SCHEMBL19437633 | 0.95 | TSHR (0.50) | — | |
| Pyrimidine SCHEMBL10646 | 0.95 | TSHR (0.50) | — | |
| Pyrimidine SCHEMBL1846 | 0.95 | — | — | |
| Pyrimidine SCHEMBL28489144 | 0.91 | — | — | |
| Pyrimidine SCHEMBL9120472 | 0.90 | — | — | |
| Benzene SCHEMBL10697562 | 0.90 | TSHR (0.58) | — | |
| Pyrimidine SCHEMBL21315895 | 0.90 | TSHR (0.46) | — | |
| Pyrimidine SCHEMBL22346941 | 0.90 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105854021-A | External-use drug and preparation with analgesic and antibacterial effect and preparation method thereof | 中国人民解放军第四军医大学 | 2016-08-17 | — | — | CN | claimed |
| CN-104940980-B | A kind of alginate dressing containing compound silver-colored zinc antiseptic and preparation method thereof | 深圳市源兴纳米医药科技有限公司 | 2018-03-06 | — | — | CN | disclosed |
| CN-107007623-A | It is a kind of to treat compound liquor merbromin of otitis and preparation method thereof | 朱守信 | 2017-08-04 | — | — | CN | disclosed |
| CN-106633469-A | Preparation and application of novel environment-friendly uracil zinc compound stabilizers for PVC (polyvinyl chloride) pipes | 深圳市志海实业股份有限公司 | 2017-05-10 | — | — | CN | disclosed |
| CN-104013574-B | Suspension preparation of temperature change painless nano sulfadiazine metallic compound hyaluronic acid | 莱普德制药有限公司 | 2017-04-12 | — | — | CN | disclosed |
| WO-1993021201-A1 | COMPOSITION AND METHOD FOR UTILIZING NUCLEOSIDES AS ION CARRIERS | WAGNER MARC C E (US) | 1993-10-28 | — | — | WO | disclosed |