⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17148074 | 0.79 | — | — | |
| SCHEMBL17135819 | 0.77 | — | — | |
| SCHEMBL17147176 | 0.77 | — | — | |
| SCHEMBL18024989 | 0.70 | — | — | |
| SCHEMBL17149557 | 0.70 | — | — | |
| SCHEMBL7588444 | 0.69 | — | — | |
| SCHEMBL9166905 | 0.68 | HTT (0.33) | — | |
| SCHEMBL19322017 | 0.68 | MAPT (0.37) | — | |
| SCHEMBL27262828 | 0.68 | POLB (0.31) | — | |
| SCHEMBL14647788 | 0.68 | ALDH1A1 (0.38) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9701771-B2 | Substituted zirconocenes catalysts and methods of use in polymerization reactions | BASELL POLYOLEFINE GMBH (DE) | 2017-07-11 | — | — | US | disclosed |
| US-9701771-B2 | Substituted zirconocenes catalysts and methods of use in polymerization reactions | BASELL POLYOLEFINE GMBH (DE) | 2017-07-11 | — | — | US | disclosed |
| US-9422380-B2 | Non-bridged metallocene complexes for the polymerization of olefins | Basell Polyolefine Wesseling (DE) | 2016-08-23 | — | — | US | disclosed |
| US-9422380-B2 | Non-bridged metallocene complexes for the polymerization of olefins | Basell Polyolefine Wesseling (DE) | 2016-08-23 | — | — | US | disclosed |
| US-9422319-B2 | Bisaryl metallocenes and use thereof to produce polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2016-08-23 | — | — | US | disclosed |
| US-9422319-B2 | Bisaryl metallocenes and use thereof to produce polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2016-08-23 | — | — | US | disclosed |
| US-20150284418-A1 | BISARYL METALLOCENES AND USE THEREOF TO PRODUCE POLYOLEFINS | BASELL POLYOLEFIN GMBH (DE) | 2015-10-08 | — | — | US | disclosed |
| US-20150284489-A1 | NON-BRIDGED METALLOCENE COMPLEXES FOR THE POLYMERIZATION OF OLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2015-10-08 | — | — | US | disclosed |
| US-20150284489-A1 | NON-BRIDGED METALLOCENE COMPLEXES FOR THE POLYMERIZATION OF OLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2015-10-08 | — | — | US | disclosed |
| US-20150284418-A1 | BISARYL METALLOCENES AND USE THEREOF TO PRODUCE POLYOLEFINS | BASELL POLYOLEFIN GMBH (DE) | 2015-10-08 | — | — | US | disclosed |
| US-20150284490-A1 | SUBSTITUTED ZIRCONOCENES CATALYSTS AND METHODS OF USE IN POLYMERIZATION REACTIONS | BASELL POLYOLEFIN GMBH (DE) | 2015-10-08 | — | — | US | disclosed |
| US-20150284490-A1 | SUBSTITUTED ZIRCONOCENES CATALYSTS AND METHODS OF USE IN POLYMERIZATION REACTIONS | BASELL POLYOLEFIN GMBH (DE) | 2015-10-08 | — | — | US | disclosed |