⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28627801 | 0.97 | — | — | |
| SCHEMBL3905928 | 0.92 | — | — | |
| SCHEMBL11408895 | 0.90 | ALDH1A1 (0.56) | — | |
| SCHEMBL22352622 | 0.90 | ALDH1A1 (0.56) | — | |
| SCHEMBL1263892 | 0.90 | ALDH1A1 (0.56) | — | |
| SCHEMBL29054777 | 0.90 | ALDH1A1 (0.56) | — | |
| SCHEMBL5833371 | 0.90 | ALDH1A1 (0.56) | — | |
| SCHEMBL410452 | 0.83 | — | — | |
| SCHEMBL315271 | 0.83 | ALDH1A1 (0.74) | — | |
| SCHEMBL189930 | 0.83 | ALDH1A1 (0.74) | — |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4322355-A | Production of 1,3-difunctional compounds | NATIONAL DISTILLERS & CHEMICAL CORP. (US) | 1982-03-30 | — | — | US | claimed |
| US-4069232-A | Manufacture of gamma-butyrolactones from 1,3-glycols and esters, halides and metadioxanes thereof | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1978-01-17 | — | — | US | claimed |
| US-12595281-B2 | Indodicarbocyanine phosphoramidites with bathochromically shifted absorption and emission, and tunable hydrophobicity | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) | 2026-04-07 | — | — | US | disclosed |
| EP-4229059-A1 | 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS | Rheinische Friedrich-Wilhelms-Universität Bonn (DE) | 2023-08-23 | — | — | EP | disclosed |
| US-20230248832-A1 | Small Molecule Ligand-Drug Conjugates for Targeted Cancer Therapy | UNIV EMORY (US) | 2023-08-10 | — | — | US | disclosed |
| US-20230250126-A1 | Indodicarbocyanine Phosphoramidites with Bathochromically Shifted Absorption and Emission, and Tunable Hydrophobicity | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY | 2023-08-10 | — | — | US | disclosed |
| WO-2022079245-A1 | 3-SUBSTITUTED XANTHINE DERIVATIVES AS MRGPRX4 RECEPTOR MODULATORS | RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) | 2022-04-21 | — | — | WO | disclosed |
| CN-108586298-B | Preparation method of high-purity fudosteine | 河南师范大学 | 2020-03-10 | — | — | CN | disclosed |
| US-20160310604-A1 | SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY | CEDARS-SINAI MEDICAL CENTER | 2016-10-27 | — | — | US | disclosed |
| US-20160310604-A1 | SMALL MOLECULE LIGAND-DRUG CONJUGATES FOR TARGETED CANCER THERAPY | CEDARS-SINAI MEDICAL CENTER | 2016-10-27 | — | — | US | disclosed |
| EP-2097415-B1 | 8-ETHINYLXANTHINE DERIVATIVES AS SELECTIVE A2A RECEPTOR ANTAGONISTS | UNIV BONN (DE) | 2014-10-29 | — | — | EP | disclosed |
| US-5808044-A | Indocarbocyanine and benzindocarbocyanine phosphoramidites | PHARMACIA BIOTECH INC. (US) | 1998-09-15 | — | — | US | disclosed |
| US-5776908-A | Amphiphilic derivatives of piperazine | MEGABIOS CORP. (US) | 1998-07-07 | — | — | US | disclosed |
| US-5665879-A | Amphiphilic derivatives of piperazine | MEGABIOS CORPORATION (US) | 1997-09-09 | — | — | US | disclosed |
| EP-0730568-A4 | AMPHIPHILIC DERIVATIVES OF PIPERAZINE | MEGABIOS CORP (US) | 1997-02-19 | — | — | EP | disclosed |
| US-5556959-A | Indocarbocyanine-linked phosphoramidites | PHARMACIA P-L BIOCHEMICALS INC. (US) | 1996-09-17 | — | — | US | disclosed |
| EP-0730568-A1 | AMPHIPHILIC DERIVATIVES OF PIPERAZINE | MEGABIOS CORPORATION (US) | 1996-09-11 | — | — | EP | disclosed |
| WO-1995014651-A1 | AMPHIPHILIC DERIVATIVES OF PIPERAZINE | MEGABIOS CORPORATION (US) | 1995-06-01 | — | — | WO | disclosed |
| US-4322355-A | Production of 1,3-difunctional compounds | NATIONAL DISTILLERS & CHEMICAL CORP. (US) | 1982-03-30 | — | — | US | disclosed |
| US-4069232-A | Manufacture of gamma-butyrolactones from 1,3-glycols and esters, halides and metadioxanes thereof | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1978-01-17 | — | — | US | disclosed |