⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12051595 | 1.00 | — | — | |
| SCHEMBL12240416 | 1.00 | — | — | |
| SCHEMBL6902136 | 0.83 | PIK3CD (0.33) | — | |
| SCHEMBL12240429 | 0.83 | PIK3CD (0.33) | — | |
| SCHEMBL22708256 | 0.81 | — | — | |
| SCHEMBL22708259 | 0.81 | — | — | |
| SCHEMBL29603490 | 0.81 | — | — | |
| SCHEMBL21657362 | 0.81 | — | — | |
| SCHEMBL12240404 | 0.81 | — | — | |
| SCHEMBL2034490 | 0.81 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240158337-A1 | GAS-PHASE OXIDATIVE COUPLING OF ALCOHOLS AND AMINES USING HETEROGENEOUS CATALYSTS | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA | 2024-05-16 | — | — | US | disclosed |
| US-20230286973-A1 | PROTEIN SECRETION INHIBITORS | ENODIA THERAPEUTICS SAS (FR) | 2023-09-14 | — | — | US | disclosed |
| US-20160130298-A1 | THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE | SERVIER PHARMACEUTICALS LLC | 2016-05-12 | — | — | US | disclosed |
| WO-2015039675-A1 | NOVEL PROCESS FOR THE PREPARATION OF EZETIMIBE INTERMEDIATES | PHARMATHEN S.A. (GR) | 2015-03-26 | — | — | WO | disclosed |
| US-20150031627-A1 | THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE | AGIOS PHARMACEUTICALS, INC (US) | 2015-01-29 | — | — | US | disclosed |
| US-8865726-B2 | Substituted pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors | ARRAY BIOPHARMA INC. (US) | 2014-10-21 | — | — | US | disclosed |
| WO-2011029027-A1 | SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | ARRAY BIOPHARMA INC. (US) | 2011-03-10 | — | — | WO | disclosed |
| EP-0613882-B1 | Process for the preparation of 5-cyanovaleric acid ester | BASF AG (DE) | 1997-01-08 | — | — | EP | disclosed |
| US-5434290-A | Carbonylation of 1-cyanobut-2-ene with carbon monoxide and alkanol in presence of cobalt catalyst and activating organic carbonate solvent | BASF AKTIENGESELLSCHAFT (DE) | 1995-07-18 | — | — | US | disclosed |
| EP-0613882-A1 | Process for the preparation of 5-cyanovaleric acid ester | BASF Aktiengesellschaft (DE) | 1994-09-07 | — | — | EP | disclosed |