⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36817 | 1.00 | — | — | |
| SCHEMBL36816 | 1.00 | — | — | |
| Water SCHEMBL11057353 | 0.97 | — | — | |
| Water SCHEMBL11057357 | 0.97 | — | — | |
| SCHEMBL23434850 | 0.86 | TSHR (0.44) | — | |
| SCHEMBL17399524 | 0.86 | TSHR (0.44) | — | |
| SCHEMBL16093126 | 0.86 | TSHR (0.44) | — | |
| SCHEMBL821076 | 0.86 | TSHR (0.53) | — | |
| SCHEMBL869082 | 0.86 | TSHR (0.53) | — | |
| SCHEMBL869080 | 0.86 | TSHR (0.53) | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230174477-A1 | METHODS FOR SYNTHESIS OF THE TRICYCLIC PROSTAGLANDIN D2 METABOLITE METHYL ESTER | PURDUE RESEARCH FOUNDATION | 2023-06-08 | — | — | US | disclosed |
| US-8039670-B2 | Analogs of alpha galactosyceramide and uses thereof | LUDWIG INSTITUTE FOR CANCER RESEARCH (US) | 2011-10-18 | — | — | US | disclosed |
| US-20090239813-A1 | Analogs of Alpha Galactosyceramide and Uses thereof | LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) | 2009-09-24 | — | — | US | disclosed |
| CN-1297562-C | Diphosphine | BASF AG (DE) | 2007-01-31 | — | — | CN | disclosed |
| US-7105689-B2 | Compound suitable for use as a catalyst or for producing a catalyst system derived from a bis-phosphorinane | BASF AKTIENGESELLSCHAFT (DE) | 2006-09-12 | — | — | US | disclosed |
| US-7074965-B2 | a multidentate organic phosphorous ligand for preparing alkenecarboxylic acid derivatives by carbonylation of conjugated dienes in the presence of a hydroxyl-containing compound in the liquid phase in the presence of a carbonylation catalyst that comprises a palladium compound | BASF AKTIENGESELLSCHAFT (DE) | 2006-07-11 | — | — | US | disclosed |
| WO-2006011024-A9 | NEW TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLENMARK PHARMACEUTICALS LTD (IN) | 2006-06-08 | — | — | WO | disclosed |
| US-6844463-B2 | Method for the carbonylation of pentenoic acid and its derivatives thereof | BASF AKTIENGESELLSCHAFT (DE) | 2005-01-18 | — | — | US | disclosed |
| US-20040249216-A1 | Diphosphine | BASF AKTIENGESELLSCHAFT (DE) | 2004-12-09 | — | — | US | disclosed |
| US-20040110989-A1 | Method for the carbonylation of pentenoic acid and its derivatives thereof | BASF AKTIENGESELLSCHAFT (DE) | 2004-06-10 | — | — | US | disclosed |
| EP-0715616-B1 | PROCESS FOR THE PREPARATION OF A MIXTURE OF ALKYL PENTENOATES | DSM NV (NL) | 1998-06-03 | — | — | EP | disclosed |
| US-5693851-A | CARBONYLATION OF BUTADIENE IN THE PRESENCE OF AN ALKANOL, CARBON MONOXIDE, PALLADIUM AND A BIDENTE LIGAND-CONTAINING COORDINATION COMPOUND OF A TRANSITION METAL | DSM N.V. (NL) | 1997-12-02 | — | — | US | disclosed |
| WO-1997006126-A1 | PROCESS FOR THE CONTINUOUS PREPARATION OF PURE 5-FORMYL VALERIC ACID ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 1997-02-20 | — | — | WO | disclosed |
| EP-0715616-A1 | PROCESS FOR THE PREPARATION OF A MIXTURE OF ALKYL PENTENOATES | DSM N.V. (NL) | 1996-06-12 | — | — | EP | disclosed |
| WO-1995006027-A1 | PROCESS FOR THE PREPARATION OF A MIXTURE OF ALKYL PENTENOATES | DSM N.V. (NL) | 1995-03-02 | — | — | WO | disclosed |
| US-4906769-A | Isomerization of 2-pentenoates to 3-pentenoates | BASF AKTIENGESELLSCHAFT (DE) | 1990-03-06 | — | — | US | disclosed |
| US-4874889-A | TREATING WITH CYCLIC TERTIARY AMINE | BASF AKTIENGESELLSCHAFT (DE) | 1989-10-17 | — | — | US | disclosed |
| EP-0306875-A2 | Process for the preparation of 5-methyl butyrolactone | BASF Aktiengesellschaft (DE) | 1989-03-15 | — | — | EP | disclosed |
| US-4801738-A | ISOMERIZATION OF 3-PENTENOATE, GROUP 8 ACID CATALYST, HYDROFORMYLATION, RHODIUM CARBONYL COMPLEX | BASF AKTIENGESELLSCHAFT (DE) | 1989-01-31 | — | — | US | disclosed |
| EP-0126349-B1 | PROCESS FOR THE PREPARATION OF 4-PENTENOIC-ACID ESTERS | BASF Aktiengesellschaft (DE) | 1986-08-20 | — | — | EP | disclosed |