⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10041246 | 1.00 | — | — | |
| SCHEMBL30201085 | 0.79 | — | — | |
| SCHEMBL507581 | 0.79 | — | — | |
| SCHEMBL19743753 | 0.77 | — | — | |
| SCHEMBL7331737 | 0.77 | — | — | |
| SCHEMBL7062239 | 0.77 | — | — | |
| SCHEMBL3087900 | 0.77 | — | — | |
| Bromide SCHEMBL11700455 | 0.77 | ALDH1A1 (0.39) | — | |
| SCHEMBL31420239 | 0.77 | — | — | |
| SCHEMBL30461478 | 0.77 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118891270-A | Polyamide compound, preparation method and medical application thereof | 江苏恩华药业股份有限公司 | 2024-11-01 | — | — | CN | disclosed |
| CN-113272303-B | Pyrimidine five-membered nitrogen heterocyclic derivative, preparation method and medical application thereof | 上海拓界生物医药科技有限公司 | 2024-09-17 | — | — | CN | disclosed |
| CN-113493440-B | Salt of nitrogen-containing heteroaromatic derivative and crystal form thereof | 上海翰森生物医药科技有限公司 | 2024-08-23 | — | — | CN | disclosed |
| CN-113840603-B | Pyrimidine five-membered nitrogen heterocyclic derivative, preparation method and medical application thereof | 上海拓界生物医药科技有限公司 | 2024-08-13 | — | — | CN | disclosed |
| CN-115052866-B | Crystal form of nitrogen-containing heteroaromatic derivative free alkali | 上海翰森生物医药科技有限公司 | 2024-06-25 | — | — | CN | disclosed |
| CN-115353509-B | Nitrogen-containing heteroaromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-116669734-A | Crystal form of pyrimido five-membered nitrogen heterocyclic derivative and preparation method thereof | 江苏恒瑞医药股份有限公司 | 2023-08-29 | — | — | CN | disclosed |
| CN-115353509-A | Aza-containing aromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-11-18 | — | — | CN | disclosed |
| CN-111295374-B | Aza-containing aromatic derivative regulator, preparation method and application thereof | 江苏豪森药业集团有限公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-115052866-A | Crystal form of free base of nitrogen-containing heteroaromatic derivative | 上海翰森生物医药科技有限公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-114181136-A | Substituted piperidine compounds and uses thereof | 武田药品工业株式会社 | 2022-03-15 | — | — | CN | disclosed |