⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1101392 | 0.94 | MEN1 (0.50) | — | |
| SCHEMBL361077 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL1702483 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL4534531 | 0.78 | TSHR (0.33) | — | |
| Bromide SCHEMBL4276596 | 0.78 | ALDH1A1 (0.35) | — | |
| Water SCHEMBL5407251 | 0.78 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL142823 | 0.78 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL4327791 | 0.76 | TSHR (0.32) | — | |
| Tromethamine SCHEMBL2021309 | 0.75 | MEN1 (0.67) | — | |
| Tromethamine SCHEMBL11125235 | 0.74 | MEN1 (0.56) | — |
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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-53037794-A | — | — | None | — | — | JP | disclosed |
| CN-108530266-A | A kind of alkynyl heptandiol class compound and its preparation method and application | 湖南科技大学 | 2018-09-14 | — | — | CN | disclosed |
| US-9345791-B2 | Ligands for targeting of S1P receptors for in vivo imaging and treatment of diseases | WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) | 2016-05-24 | — | — | US | disclosed |
| EP-2744776-A1 | NEW LIGANDS FOR TARGETING OF S1P RECEPTORS FOR IN VIVO IMAGING AND TREATMENT OF DISEASES | Westfälische Wilhelms-Universität Münster (DE) | 2014-06-25 | — | — | EP | disclosed |
| US-20140170067-A1 | NEW LIGANDS FOR TARGETING OF S1P RECEPTORS FOR IN VIVO IMAGING AND TREATMENT OF DISEASES | WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) | 2014-06-19 | — | — | US | disclosed |
| WO-2013026765-A1 | NEW LIGANDS FOR TARGETING OF S1P RECEPTORS FOR IN VIVO IMAGING AND TREATMENT OF DISEASES | WESTFAELISCHE WILHELMS-UNIVERSITAET MUENSTER (DE) | 2013-02-28 | — | — | WO | disclosed |
| US-20090042772-A1 | COMPOUNDS AND METHODS OF TREATING INSULIN RESISTANCE AND CARDIOMYOPATHY | TRANSITION THERAPEUTICS INC. (CA) | 2009-02-12 | — | — | US | disclosed |
| WO-2008083280-A1 | COMPOUNDS AND METHODS OF TREATING INSULIN RESISTANCE AND CARDIOMYOPATHY | TRANSITION THERAPEUTICS INC. (CA) | 2008-07-10 | — | — | WO | disclosed |
| US-20080139455-A1 | COMPOUNDS AND METHODS OF TREATING METABOLIC SYNDROME AND INFLAMMATION | FORBES MEDI-TECH (RESEARCH), INC. (US) | 2008-06-12 | — | — | US | disclosed |
| US-20080096799-A1 | COMPOUNDS FOR AND METHODS OF TREATING INSULIN RESISTANCE AND INFLAMMATION | FORBES MEDI-TECH (RESEARCH), INC. (US) | 2008-04-24 | — | — | US | disclosed |
| US-5719176-A | 2-amino-1,3-propanediol compound and immunosuppressant | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1998-02-17 | — | — | US | disclosed |
| US-5604229-A | 2-amino-1,3-propanediol compound and immunosuppressant | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1997-02-18 | — | — | US | disclosed |
| US-5422042-A | Improved toughness and flexibility | HUNTSMAN CORPORATION (US) | 1995-06-06 | — | — | US | disclosed |
| EP-0627406-A1 | 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-12-07 | — | — | EP | disclosed |
| EP-0233276-B1 | WRAPPING | THE CROWELL CORPORATION (US) | 1992-01-29 | — | — | EP | disclosed |
| EP-0233276-A4 | WRAPPING. | CROWELL CORP (US) | 1988-12-15 | — | — | EP | disclosed |
| EP-0233276-A1 | WRAPPING. | CROWELL CORP (US) | 1987-08-26 | — | — | EP | disclosed |
| WO-1987001092-A1 | WRAPPING | THE CROWELL CORPORATION (US) | 1987-02-26 | — | — | WO | disclosed |
| JP-S5337794-A | PREPARATION OF AMINO RESIN OF LOW FREE-FORMALDEHYDE CONTENT | HITACHI CHEM CO LTD | 1978-04-07 | — | — | JP | disclosed |
| US-3976441-A | Substituted aminoalkylpropanediol and motor fuel composition containing same | TEXACO INC. (US) | 1976-08-24 | — | — | US | disclosed |