⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16951508 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL16958919 | 0.77 | CYP1A2 (0.36) | — | |
| SCHEMBL30707788 | 0.77 | KCNH2 (0.61) | — | |
| SCHEMBL4448140 | 0.77 | KCNH2 (0.61) | — | |
| SCHEMBL19875711 | 0.77 | TSHR (0.53) | — | |
| SCHEMBL16954758 | 0.75 | CYP1A2 (0.35) | — | |
| SCHEMBL16960933 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL29739115 | 0.74 | — | — | |
| SCHEMBL7203113 | 0.74 | — | — | |
| SCHEMBL876190 | 0.74 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7368470-B2 | Substituted 3-pyrrolidine-indole derivatives | GRUENENTHAL GMBH (DE) | 2008-05-06 | — | — | US | claimed |
| EP-1654253-B1 | SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-01-03 | — | — | EP | claimed |
| US-20050096376-A1 | Substituted 3-pyrrolidine-indole derivatives | GRUENENTHAL GMBH (DE) | 2005-05-05 | — | — | US | claimed |
| US-5594020-A | FUNGICIDE | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-14 | — | — | US | claimed |
| CN-101198594-A | Process for the production of intermadiates for the preparation of tricyclic benzimidazoles | NYCOMED GMBH (DE) | 2008-06-11 | — | — | CN | disclosed |
| US-7368470-B2 | Substituted 3-pyrrolidine-indole derivatives | GRUENENTHAL GMBH (DE) | 2008-05-06 | — | — | US | disclosed |
| EP-1654253-B1 | SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2007-01-03 | — | — | EP | disclosed |
| EP-1654253-A1 | SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES | Grünenthal GmbH (DE) | 2006-05-10 | — | — | EP | disclosed |
| US-20050096376-A1 | Substituted 3-pyrrolidine-indole derivatives | GRUENENTHAL GMBH (DE) | 2005-05-05 | — | — | US | disclosed |
| WO-2005019208-A1 | SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES | Grünenthal GmbH (DE) | 2005-03-03 | — | — | WO | disclosed |
| US-5719171-A | INSECTICIDES; MITICIDES; NEMATOCIDES; FUNGICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-17 | — | — | US | disclosed |
| US-5594020-A | FUNGICIDE | BASF AKTIENGESELLSCHAFT (DE) | 1997-01-14 | — | — | US | disclosed |
| EP-0621277-A2 | Diarylderivatives and their use for the protection of plants | BASF Aktiengesellschaft (DE) | 1994-10-26 | — | — | EP | disclosed |
| US-4824891-A | PLASTICIZER WITHIN CROSSLINKED NETWORK | RHONE-POULENC CHIMIE (FR) | 1989-04-25 | — | — | US | disclosed |