⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3181135 | 1.00 | — | — | |
| SCHEMBL908799 | 1.00 | — | — | |
| SCHEMBL4605494 | 1.00 | — | — | |
| SCHEMBL27212324 | 1.00 | — | — | |
| SCHEMBL8518194 | 0.69 | — | — | |
| SCHEMBL28083239 | 0.69 | — | — | |
| SCHEMBL28893817 | 0.67 | — | — | |
| SCHEMBL3275941 | 0.65 | — | — | |
| SCHEMBL11590077 | 0.65 | PTPN1 (0.41) | — | |
| SCHEMBL8760967 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1237844-A1 | PROCESS FOR THE PREPARATION OF SECONDARY AND TERTIARY AMINES | Celgro (US) | 2002-09-11 | — | — | EP | claimed |
| WO-2001044162-A1 | PROCESS FOR THE PREPARATION OF SECONDARY AND TERTIARY AMINES | CELGRO (US) | 2001-06-21 | — | — | WO | claimed |
| US-20160130208-A1 | SYNTHESIS OF ALPHA,BETA-UNSATURATED CARBOXYLIC ACID (METH)ACRYLATES FROM OLEFINS AND CO2 | EVONIK DEGUSSA GMBH (DE) | 2016-05-12 | — | — | US | disclosed |
| WO-2004072147-A1 | AROMATIC POLYMERS WITH MULTIPLE SIDE CHAINS AND METHODS FOR USE THEREOF | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2004-08-26 | — | — | WO | disclosed |
| EP-1427695-A1 | METHOD OF PRODUCING NITRILE COMPOUNDS | Rhodia Polyamide Intermediates (FR) | 2004-06-16 | — | — | EP | disclosed |
| US-20040087623-A1 | Pyrazole derivatives against tgf overexpression | GLAXO GROUP LIMITED (GB) | 2004-05-06 | — | — | US | disclosed |
| WO-2003024919-A1 | METHOD OF PRODUCING NITRILE COMPOUNDS | RHODIA POLYAMIDE INTERMEDIATES (FR) | 2003-03-27 | — | — | WO | disclosed |
| EP-0647619-B1 | Process for the preparation of 2-methyl-3-butene nitrile | RHONE POULENC FIBRES (FR) | 1998-05-20 | — | — | EP | disclosed |
| WO-1996033969-A1 | METHOD OF HYDROCYANATING UNSATURATED NITRILES INTO DINITRILES | RHONE-POULENC CHIMIE (FR) | 1996-10-31 | — | — | WO | disclosed |
| EP-0647619-A1 | Process for the preparation of 2-methyl-3-butene nitrile | RHONE-POULENC FIBER & RESIN INTERMEDIATES (FR) | 1995-04-12 | — | — | EP | disclosed |