⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9272701 | 0.90 | — | — | |
| SCHEMBL1505145 | 0.85 | — | — | |
| SCHEMBL1089492 | 0.76 | — | — | |
| SCHEMBL28001658 | 0.76 | — | — | |
| SCHEMBL29941995 | 0.74 | — | — | |
| SCHEMBL31215418 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL124959 | 0.69 | — | — | |
| SCHEMBL9121199 | 0.68 | — | — | |
| SCHEMBL10472341 | 0.68 | — | — | |
| SCHEMBL29452754 | 0.67 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107106709-A | Radiopharmaceutical conjugates comprising a metabolite and an EPR agent targeting tumor cells | 南非核能源有限公司 | 2017-08-29 | — | — | CN | claimed |
| CN-106543268-B | A kind of Multifunctional imaging probe and its preparation method and application | 陈小元 | 2018-11-13 | — | — | CN | disclosed |
| CN-104854126-B | polypeptide and imaging method | 国立大学法人京都大学 | 2018-10-16 | — | — | CN | disclosed |
| CN-108541302-A | UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY | 五制药股份有限公司 | 2018-09-14 | — | — | CN | disclosed |
| CN-108472555-A | Isotope production method | 拜耳公司 | 2018-08-31 | — | — | CN | disclosed |
| CN-108290927-A | I L-17F-specific capture agents, compositions, and methods of use and manufacture | 加州理工学院 | 2018-07-17 | — | — | CN | disclosed |
| CN-104470547-B | Utilize the method for tubular article synthesis of radiopharmaceuticals | 未来化学株式会社 | 2018-01-26 | — | — | CN | disclosed |
| CN-107412794-A | Double target spot imaging molecular probes and its preparation method and application | 中国医学科学院北京协和医院 | 2017-12-01 | — | — | CN | disclosed |
| CN-107249613-A | VEGF variant polypeptide compositions | 小利兰斯坦福大学理事会 | 2017-10-13 | — | — | CN | disclosed |
| CN-107106709-A | Radiopharmaceutical conjugates comprising a metabolite and an EPR agent targeting tumor cells | 南非核能源有限公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-107096044-A | Nuclear medicine and magnetic resonance bimodal imaging medicament, prodrug, preparation method and application | 原子高科股份有限公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-107001422-A | Targeting peptides with reference to streptococcus mutans, construct comprising the peptide and application thereof | C3剑股份有限公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-105985524-A | Construction method of polypeptide compound molecule aiming at specific target and having fingerprint identification characteristic | 北京师范大学 | 2016-10-05 | — | — | CN | disclosed |
| CN-104854126-A | Polypeptide and imaging method | NAT UNIV CORP KYOTO UNIV | 2015-08-19 | — | — | CN | disclosed |