⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27945462 | 0.85 | — | — | |
| SCHEMBL28117318 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL28117795 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL11173883 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL9430953 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL20585911 | 0.78 | HIF1A (0.35) | — | |
| SCHEMBL5501557 | 0.77 | — | — | |
| SCHEMBL7627037 | 0.76 | TSHR (0.44) | — | |
| SCHEMBL626319 | 0.76 | — | — | |
| SCHEMBL6078902 | 0.76 | ALDH1A1 (0.43) | — |
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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110396079-A | A kind of preparation method and applications of Rynaxypyr intermediate | UNIV SOUTHEAST | 2019-11-01 | — | — | CN | disclosed |
| CN-110072863-A | RIP1 kinase inhibitors and methods of use | 豪夫迈·罗氏有限公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-107075034-B | Polymerizable composition containing polymerizable compound, film, and half mirror for projection image display | 富士胶片株式会社 | 2019-07-12 | — | — | CN | disclosed |
| CN-109843886-A | Two ring pyridone lactams and its application method | 豪夫迈·罗氏有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-109384707-A | Benzo rouge (fat) ring derivatives and application thereof | 华东理工大学 | 2019-02-26 | — | — | CN | disclosed |
| CN-109071557-A | The prodrug of anticancer agent INDOTECAN and INDIMITECAN | 珀杜研究基金会 | 2018-12-21 | — | — | CN | disclosed |
| CN-108883195-A | Prodrugs of cytotoxic active substances with enzymatically cleavable groups | 拜耳制药股份公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-108884058-A | MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS | 阿奇克斯制药公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-105980394-B | Metallocene derivatives with anticancer activity | 巴黎科学与文学联大-拉丁校区 | 2018-10-16 | — | — | CN | disclosed |
| CN-108473426-A | Cyclic amine derivatives and its medical usage | 东丽株式会社 | 2018-08-31 | — | — | CN | disclosed |
| CN-104768932-A | Heteroaryl inhibitors of PDE4 | TETRA DISCOVERY PARTNERS LLC | 2015-07-08 | — | — | CN | disclosed |
| CN-102741224-B | Method for producing astaxanthin dimethyl disuccinate | BASF SE | 2015-06-03 | — | — | CN | disclosed |
| CN-102762575-B | polycyclic compounds and methods of use thereof | SUNOVION PHARMACEUTICALS INC | 2015-04-15 | — | — | CN | disclosed |
| CN-104302645-A | Antibacterial compounds | BIOTA EUROPE LTD | 2015-01-21 | — | — | CN | disclosed |
| CN-102014969-B | Contrast agents for applications including perfusion imaging | LANTHEUS MEDICAL IMAGING INC | 2014-07-09 | — | — | CN | disclosed |
| CN-102066343-B | Trisubstituted 1,2, 4-triazoles as nicotinic acetylcholine receptor modulators | JANSSEN PHARMACEUTICA NV | 2013-12-04 | — | — | CN | disclosed |
| EP-1793827-A4 | TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-07-29 | — | — | EP | disclosed |
| EP-1793827-A2 | TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-06-13 | — | — | EP | disclosed |
| WO-2006031491-A2 | TRICYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2006-03-23 | — | — | WO | disclosed |
| EP-0130878-A1 | Hexahydroindolonaphthyridine derivatives, their preparation and therapeutic use | SYNTHELABO (FR) | 1985-01-09 | — | — | EP | disclosed |