⚠ 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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL28665060 | 0.80 | TDP1 (0.32) | — | |
| SCHEMBL15418572 | 0.79 | — | — | |
| SCHEMBL28275860 | 0.77 | — | — | |
| SCHEMBL2230615 | 0.77 | — | — | |
| SCHEMBL7788961 | 0.75 | — | — | |
| SCHEMBL2311058 | 0.75 | — | — | |
| SCHEMBL2510404 | 0.73 | — | — | |
| SCHEMBL2065877 | 0.73 | — | — | |
| SCHEMBL6363827 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL28893204 | 0.71 | GABRR1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4273125-A1 | HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2023-11-08 | — | — | EP | disclosed |
| EP-4273126-A1 | HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2023-11-08 | — | — | EP | disclosed |
| EP-4273127-A1 | HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2023-11-08 | — | — | EP | disclosed |
| WO-2020101977-A1 | LIPID ETHER AMINE COMPOUNDS FOR TOPICAL TREATMENT OF CUTANEOUS DISEASE | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2020-05-22 | — | — | WO | disclosed |
| EP-1218379-A2 | CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES | NEUROGEN CORPORATION (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001023387-A2 | CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES | NEUROGEN CORPORATION (US) | 2001-04-05 | — | — | WO | disclosed |
| US-5026920-A | Obtaining alkanals having a 2-alkyl branch from alkanal mixtures | BASF AKTIENGESELLSCHAFT (DE) | 1991-06-25 | — | — | US | disclosed |
| US-4408079-A | Preparation of alpha-alkylacroleins | BASF AKTIENGESELLSCHAFT (DE) | 1983-10-04 | — | — | US | disclosed |
| US-4049607-A | Heat convertible coating compositions | ISIS CHEMICALS, INC. (US) | 1977-09-20 | — | — | US | disclosed |