⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3642176 | 0.85 | ALDH1A1 (0.54) | — | |
| SCHEMBL7923176 | 0.83 | ALDH1A1 (0.54) | — | |
| SCHEMBL509780 | 0.83 | ALDH1A1 (0.43) | — | |
| SCHEMBL8158 | 0.83 | ALDH1A1 (1.00) | — | |
| SCHEMBL30568759 | 0.83 | ALDH1A1 (1.00) | — | |
| SCHEMBL28104758 | 0.81 | TSHR (0.58) | — | |
| SCHEMBL12502129 | 0.81 | TSHR (0.58) | — | |
| SCHEMBL9556715 | 0.80 | ALDH1A1 (0.94) | — | |
| SCHEMBL984996 | 0.80 | — | — | |
| SCHEMBL10640242 | 0.80 | ALDH1A1 (0.94) | — |
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 131 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112851494-B | Preparation method of 1-pyrene butyric acid | 苏州昊帆生物股份有限公司 | 2023-08-15 | — | — | CN | claimed |
| CN-112851494-A | Preparation method of 1-pyrenebutyric acid | 苏州昊帆生物股份有限公司 | 2021-05-28 | — | — | CN | claimed |
| CN-106632124-B | The synthetic method of 5,5 '--3,3 '-connection -1,2,4- oxadiazoles of ethyl diacetate base | 西安近代化学研究所 | 2019-02-05 | — | — | CN | claimed |
| CN-108440389-A | 3,4,5-trihydroxy benzoic acid derivative and the preparation method and application thereof | 山东大学 | 2018-08-24 | — | — | CN | claimed |
| CN-107383070-A | The preparation method of piperidines with anti-hepatitis function and the adjoining fluorobenzene Zn complex of pyridine chain | 毛伸 | 2017-11-24 | — | — | CN | claimed |
| CN-107365310-A | The preparation method of new farnesyl transferase inhibitor with pyridone structure | 李芷琪 | 2017-11-21 | — | — | CN | claimed |
| CN-107325094-A | A kind of preparation method of antifungal drug piperidines and the diazetidine derivative of pyrido 1,2 | 毛佳婧 | 2017-11-07 | — | — | CN | claimed |
| CN-107325100-A | The preparation method of piperidines with insecticidal activity and pyridinone derivatives | 毛伸 | 2017-11-07 | — | — | CN | claimed |
| CN-107325099-A | The preparation method of piperidines with insecticidal activity and the triazole derivative of 4,5 dihydro of pyrido 1,2,3 | 李芷琪 | 2017-11-07 | — | — | CN | claimed |
| CN-107312000-A | The preparation method of new farnesyl transferase inhibitor with the triazole structure of 4,5 dihydro 1,2,3 | 李芷琪 | 2017-11-03 | — | — | CN | claimed |
| CN-107245077-A | The preparation method of piperidines with insecticidal activity and the adjoining fluorobenzene analog derivative of pyridine chain | 毛伸 | 2017-10-13 | — | — | CN | claimed |
| CN-107235973-A | The preparation method of the adjoining fluorobenzene calcium composition of piperidones chain with pharmaceutical activity | 王会琴 | 2017-10-10 | — | — | CN | claimed |
| CN-107235974-A | The preparation method of piperidine sulfonamide calcium composition with pharmaceutical activity | 王会琴 | 2017-10-10 | — | — | CN | claimed |
| CN-107188892-A | The preparation method of piperidines with platelet aggregation-against function and pyridine compounds | 穆开蕊 | 2017-09-22 | — | — | CN | claimed |
| CN-107163046-A | The preparation method of pyrido o-diazepamate derivative with anti-tumor function | 毛佳婧 | 2017-09-15 | — | — | CN | claimed |
| CN-107163045-A | The preparation method of piperidines with platelet aggregation-against function and the triazole compound of pyrido 1,2,3 | 穆开蕊 | 2017-09-15 | — | — | CN | claimed |
| CN-107151247-A | The preparation method of the adjoining fluorophenyl compound of piperidones chain with bioactivity | 王会琴 | 2017-09-12 | — | — | CN | claimed |
| CN-107151248-A | The preparation method of piperidine sulfonamide class compound with bioactivity | 王会琴 | 2017-09-12 | — | — | CN | claimed |
| CN-107141289-A | The preparation method of piperidines with antineoplastic function and chloro-pyridine compounds | 王二霞 | 2017-09-08 | — | — | CN | claimed |
| CN-106632124-A | Synthesis method of 5,5'-di(acetic ether)-3,3'-bi-1,2,4-oxadiazole | 西安近代化学研究所 | 2017-05-10 | — | — | CN | claimed |