⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10911084 | 0.83 | — | — | |
| SCHEMBL11344484 | 0.81 | — | — | |
| SCHEMBL27336252 | 0.81 | — | — | |
| SCHEMBL11352307 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL7970586 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL11350062 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL10911083 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL28111888 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL948116 | 0.75 | — | — | |
| SCHEMBL7522816 | 0.75 | — | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114149345-B | Method for preparing isocyanate | 万华化学集团股份有限公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-114149345-A | Method for preparing isocyanate | 万华化学集团股份有限公司 | 2022-03-08 | — | — | CN | disclosed |
| EP-1900724-B1 | Process for the preparation of tertiary amines from primary amines and nitriles | INVISTA TECHNOLOGIES SRL (CH) | 2014-12-17 | — | — | EP | disclosed |
| EP-2264006-A1 | Process for the preparation of tertiary amines from primary amines and nitriles | Invista Technologies S.à.r.l. (CH) | 2010-12-22 | — | — | EP | disclosed |
| EP-1444193-B1 | PROCESS FOR THE PREPARATION OF TERTIARY AMINES FROM PRIMARY AMINES AND NITRILES | INVISTA TECH SARL (CH) | 2008-10-08 | — | — | EP | disclosed |
| EP-1900724-A2 | Process for the preparation of tertiary amines from primary amines and nitriles | Invista Technologies S.a.r.l. (CH) | 2008-03-19 | — | — | EP | disclosed |
| EP-1444193-A4 | PROCESS FOR THE PREPARATION OF TERTIARY AMINES FROM PRIMARY AMINES AND NITRILES | DU PONT (US) | 2006-02-15 | — | — | EP | disclosed |
| EP-1444193-A2 | PROCESS FOR THE PREPARATION OF TERTIARY AMINES FROM PRIMARY AMINES AND NITRILES | E. I. du Pont de Nemours and Company (US) | 2004-08-11 | — | — | EP | disclosed |
| US-6600075-B1 | Preparing tertiary amine compounds from primary amines and nitrites in the presence of hydrogen gas and a metal catalyst, or metal-containing catalyst composition, at a temperature from about 50 degrees C. to about 200 degrees C. | E. I. DU PONT DE NEMOURS AND COMPANY | 2003-07-29 | — | — | US | disclosed |
| US-20030135052-A1 | PROCESS FOR THE PREPARATION OF TERTIARY AMINES FROM PRIMARY AMINES AND NITRILES | INVISTA NORTH AMERICA S.A.R.L. | 2003-07-17 | — | — | US | disclosed |
| US-4835312-A | Production process of N-substituted amide compounds | MITSUI CHEMICALS, INCORPORATED (JP) | 1989-05-30 | — | — | US | disclosed |
| EP-0078709-B1 | PREPARATION OF NITROARALKYL CYANIDES AND DERIVATIVES THEREOF | ETHYL CORPORATION (US) | 1986-10-01 | — | — | EP | disclosed |
| US-4503000-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-03-05 | — | — | US | disclosed |
| US-4502999-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-03-05 | — | — | US | disclosed |
| US-4502995-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-03-05 | — | — | US | disclosed |
| US-4502996-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-03-05 | — | — | US | disclosed |
| US-4502998-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-03-05 | — | — | US | disclosed |
| US-4499026-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1985-02-12 | — | — | US | disclosed |
| EP-0078709-A2 | Preparation of nitroaralkyl cyanides and derivatives thereof | ETHYL CORPORATION (US) | 1983-05-11 | — | — | EP | disclosed |
| US-4370278-A | Nucleophilic substitution process | ETHYL CORPORATION (US) | 1983-01-25 | — | — | US | disclosed |