⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3104189 | 0.85 | — | — | |
| SCHEMBL17715108 | 0.83 | TSHR (0.70) | — | |
| SCHEMBL336796 | 0.83 | — | — | |
| SCHEMBL17705170 | 0.81 | SMN1; SMN2 (0.61) | — | |
| SCHEMBL1188604 | 0.78 | — | — | |
| SCHEMBL269385 | 0.78 | — | — | |
| SCHEMBL556822 | 0.78 | — | — | |
| SCHEMBL8392268 | 0.78 | TSHR (0.80) | — | |
| SCHEMBL29715 | 0.76 | — | — | |
| SCHEMBL17705167 | 0.76 | TSHR (0.76) | — |
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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011090935-A1 | PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-28 | — | — | WO | claimed |
| EP-3630772-B1 | METHODS OF MAKING AND USING PDE9 INHIBITORS | IMARA INC (US) | 2023-11-01 | — | — | EP | disclosed |
| EP-0900184-B1 | PROCESSES FOR PRODUCING 1,6-HEXANEDIOLS | UNION CARBIDE CHEM PLASTIC (US) | 2003-03-19 | — | — | EP | disclosed |
| EP-1021392-B1 | PROCESSES FOR PRODUCING HYDROXYALDEHYDES | UNION CARBIDE CHEM PLASTIC (US) | 2002-12-18 | — | — | EP | disclosed |
| EP-0900183-B1 | PROCESSES FOR PRODUCING 1,6-HEXANEDIOLS | UNION CARBIDE CHEM PLASTIC (US) | 2002-11-13 | — | — | EP | disclosed |
| EP-0900187-B1 | PROCESSES FOR PRODUCING HYDROXYALDEHYDES | UNION CARBIDE CHEM PLASTIC (US) | 2002-09-04 | — | — | EP | disclosed |
| US-20010053858-A1 | Processes for producing epsilon caprolactones and/or hydrates and/or esters thereof | TJADEN ERIK BRUCE (US) | 2001-12-20 | — | — | US | disclosed |
| US-6307065-B1 | SUBJECTING A BUTADIENES TO HYDROCARBONYLATION IN THE PRESENCE OF A HYDROCARBONYLATION CATALYST TO PRODUCE PENTEN-1-OLS; AND SUBJECTING THE PRODUCT TO CARBONYLATION IN THE PRESENCE OF A CARBONYLATION CATALYST | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-10-23 | — | — | US | disclosed |
| US-6187970-B1 | REDUCTIVE HYDROFORMYLATION AND ISOMERIZATION CATALYSTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-02-13 | — | — | US | disclosed |
| US-6184391-B1 | 3-PENTEN-1-OLS FROM BUTADIENE, CATALYSTS HAVING CARBONYLATION/ISOMERIZATION CAPABILITIES. METAL-ORGANOPHOSPHORUS LIGAND COMPLEX CATALYST, | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-02-06 | — | — | US | disclosed |
| WO-1998046564-A1 | EPSILON CAPROLACTAM COMPOSITIONS AND BYPRODUCTS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-22 | — | — | WO | disclosed |
| EP-0872482-A2 | Process for producing epsilon caprolactones and/or hydrates and/or esters thereof | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-21 | — | — | EP | disclosed |
| EP-0872483-A1 | Process for producing epsilon caprolactones from penten-1-ols | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-21 | — | — | EP | disclosed |
| US-5821389-A | SUBJECTING ALKADIENE TO REDUCTIVE HYDROFORMYLATION IN PRESENCE OF CATALYST AND HYDROFORMYLATION IN PRESENCE OF CATALYST | UNION CARBIDE CHEMICALS & TECHNOLOGY CORPORATION (US) | 1998-10-13 | — | — | US | disclosed |
| US-5817883-A | HYDROCARBONYLATION AND HYDROFORMYLATION OF ALKADIENES OR HYDROCARBONYLATION OF PENTANALS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-10-06 | — | — | US | disclosed |
| WO-1997040000-A1 | PROCESSES FOR PRODUCING HYDROXYALDEHYDES | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1997-10-30 | — | — | WO | disclosed |
| WO-1997039998-A1 | PROCESSES FOR PRODUCING 1,6-HEXANEDIOLS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1997-10-30 | — | — | WO | disclosed |
| WO-1997039997-A1 | PROCESSES FOR PRODUCING 1,6-HEXANEDIOLS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1997-10-30 | — | — | WO | disclosed |
| WO-1997040001-A1 | PROCESSES FOR PRODUCING HYDROXYALDEHYDES | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1997-10-30 | — | — | WO | disclosed |
| EP-0260910-A1 | 3,6-Diphenylpyridazines | Chisso Corporation (JP) | 1988-03-23 | — | — | EP | disclosed |