⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11814085 | 1.00 | — | — | |
| SCHEMBL13893498 | 0.90 | ALDH1A1 (0.32) | — | |
| SCHEMBL80067 | 0.76 | — | — | |
| SCHEMBL12950473 | 0.75 | — | — | |
| SCHEMBL14330126 | 0.74 | — | — | |
| SCHEMBL16335431 | 0.74 | — | — | |
| SCHEMBL643646 | 0.74 | — | — | |
| SCHEMBL19228702 | 0.74 | — | — | |
| SCHEMBL28272902 | 0.72 | — | — | |
| SCHEMBL154297 | 0.72 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230331704-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | LG CHEM, LTD. (KR) | 2023-10-19 | — | — | US | disclosed |
| WO-2023077218-A1 | PHOTOCATALYSTS, PREPARATION AND USE THEREOF | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) | 2023-05-11 | — | — | WO | disclosed |
| EP-3319943-B1 | NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES | BAYER CROPSCIENCE AG (DE) | 2019-06-26 | — | — | EP | disclosed |
| US-10239859-B2 | Nitrogen-containing heterocycles as pesticides | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2019-03-26 | — | — | US | disclosed |
| US-20180201600-A1 | NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-07-19 | — | — | US | disclosed |
| US-20180201600-A1 | NITROGEN-CONTAINING HETEROCYCLES AS PESTICIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2018-07-19 | — | — | US | disclosed |
| US-9708503-B2 | Resin-polyester blend binder compositions, method of making same and articles made therefrom | HEXION INC. (US) | 2017-07-18 | — | — | US | disclosed |
| WO-2017005673-A1 | NITROGENOUS HETEROCYCLES AS A PESTICIDE | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2017-01-12 | — | — | WO | disclosed |
| EP-1802621-B1 | CRF RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO | SMITHKLINE BEECHAM CORK LTD (IE) | 2009-05-06 | — | — | EP | disclosed |