⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL135435 | 0.92 | — | — | |
| SCHEMBL143002 | 0.89 | SOAT1 (0.40) | — | |
| SCHEMBL137474 | 0.89 | SOAT1 (0.40) | — | |
| SCHEMBL21467448 | 0.89 | SOAT1 (0.40) | — | |
| SCHEMBL137728 | 0.85 | — | — | |
| SCHEMBL5596436 | 0.77 | — | — | |
| SCHEMBL18083182 | 0.74 | — | — | |
| SCHEMBL15040335 | 0.74 | — | — | |
| Tiformin SCHEMBL1736430 | 0.74 | CYP1A2 (0.52) | — | |
| SCHEMBL984694 | 0.73 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113749825-B | Frame type bone joint prosthesis and preparation method and application thereof | 浙江大学 | 2022-08-05 | — | — | CN | disclosed |
| CN-114507181-A | Propionic acid compound containing 5-substituted tetrahydroisoquinoline, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-05-17 | — | — | CN | disclosed |
| CN-113749825-A | Frame type bone joint prosthesis and preparation method and application thereof | 浙江大学 | 2021-12-07 | — | — | CN | disclosed |
| CN-103666887-B | Low-irritation aloe skin-care toilet soap | SHANGHAI BAFANG FINE CHEMICAL ENG CO LTD | 2015-04-15 | — | — | CN | disclosed |
| US-8728442-B2 | Method of controlling the growth of microorganisms by a composition containing isolated or in vitro synthesized nitrosoamides | BAYER CROPSCIENCE LP (US) | 2014-05-20 | — | — | US | disclosed |
| CN-103666887-A | Low-irritation aloe skin-care toilet soap | SHANGHAI BAFANG FINE CHEMICAL ENG CO LTD | 2014-03-26 | — | — | CN | disclosed |
| US-20120058058-A1 | COMPOUNDS DERIVED FROM MUSCODOR FUNGI | AGRAQUEST, INC. (US) | 2012-03-08 | — | — | US | disclosed |