⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27835177 | 1.00 | — | — | |
| SCHEMBL6968815 | 0.72 | — | — | |
| SCHEMBL1527654 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL6138484 | 0.72 | — | — | |
| SCHEMBL196713 | 0.72 | — | — | |
| SCHEMBL8830908 | 0.69 | — | — | |
| SCHEMBL467469 | 0.69 | — | — | |
| SCHEMBL2375307 | 0.67 | — | — | |
| SCHEMBL3500359 | 0.67 | — | — | |
| SCHEMBL58309 | 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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104853737-A | ORAL CARE COMPOSITION CONTAINING IONIC LIQUIDS | COLGATE PALMOLIVE CO | 2015-08-19 | — | — | CN | claimed |
| CN-102020575-A | Synthesis method of L-carnitine | UNIV ZHEJIANG TECHNOLOGY | 2011-04-20 | — | — | CN | claimed |
| WO-2006127024-A1 | REAGENTS AND METHODS FOR LABELING TERMINAL OLEFINS | EISAI CO. LTD. (JP) | 2006-11-30 | — | — | WO | claimed |
| US-20060045846-A1 | Reagents and methods for labeling terminal olefins | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2006-03-02 | — | — | US | claimed |
| CN-209680104-U | 3- cyano -2- hydroxypropyl-trimethyl ammonium chloride hydrolyzes pipe reaction device | UNIV HUANGGANG NORMAL | 2019-11-26 | — | — | CN | disclosed |
| EP-2949652-B1 | Intermediates for the preparation of halichondrin B | EISAI R&D MAN CO LTD (JP) | 2019-08-07 | — | — | EP | disclosed |
| EP-2686441-B1 | METHODS AND USES FOR PREDICTING RESPONSE TO ERIBULIN | EISAI R&D MAN CO LTD (JP) | 2019-05-08 | — | — | EP | disclosed |
| CN-109180615-A | Intermediates for the preparation of analogs of halichondrin B | 卫材R&D管理有限公司 | 2019-01-11 | — | — | CN | disclosed |
| CN-108997267-A | Intermediates for the preparation of analogs of halichondrin B | 卫材R&D管理有限公司 | 2018-12-14 | — | — | CN | disclosed |
| CN-108484441-A | Levocarnitine intermediate L-（-）The synthetic method of chlorination 3- cyano -2- hydroxypropyl trimethylammonium amine | 常州兰陵制药有限公司 | 2018-09-04 | — | — | CN | disclosed |
| US-RE46965-E1 | Intermediates for the preparation of analogs of Halichondrin B | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2018-07-24 | — | — | US | disclosed |
| CN-103562406-B | Methods and compositions for predicting response to eribulin | 卫材R&D管理有限公司 | 2018-03-27 | — | — | CN | disclosed |
| EP-1087960-A4 | MACROCYCLIC ANALOGS AND METHODS OF THEIR USE AND PREPARATION | EISAI CO LTD (JP) | 2004-12-01 | — | — | EP | disclosed |
| WO-2004056817-A1 | OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2004-07-08 | — | — | WO | disclosed |
| WO-2004048392-A1 | OXAZOLIDINONE AND / OR ISOXAZOLINE DERIVATIVES AS ANTIBACTERIAL AGENTS | ASTRAZENECA AB (SE) | 2004-06-10 | — | — | WO | disclosed |
| US-6469182-B1 | HALICHONDRIN ANALOGS HAVING PHARMACEUTICAL ACTIVITY, SUCH AS ANTICANCER OR ANTIMITOTIC ACTIVITY | EISAI CO., LTD. (JP) | 2002-10-22 | — | — | US | disclosed |
| US-6365759-B1 | ANTICARCINOGENIC AND ANTIMITOTIC AGENTS; STABLE; MELANOMA; LEUKEMIA; COLON; MAMMARY GLANDS; OVARIES; PROSTATE GLANDS; LUNGS | EISAI CO., LTD. (JP) | 2002-04-02 | — | — | US | disclosed |
| US-6214865-B1 | Macrocyclic analogs and methods of their use and preparation | EISAI CO., LTD. (JP) | 2001-04-10 | — | — | US | disclosed |
| EP-1087960-A1 | MACROCYCLIC ANALOGS AND METHODS OF THEIR USE AND PREPARATION | EISAI CO., LTD. (JP) | 2001-04-04 | — | — | EP | disclosed |
| WO-1999065894-A1 | MACROCYCLIC ANALOGS AND METHODS OF THEIR USE AND PREPARATION | EISAI CO., LTD. (JP) | 1999-12-23 | — | — | WO | disclosed |