⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6514819 | 0.90 | PTPN1 (0.31) | — | |
| SCHEMBL22389544 | 0.79 | — | — | |
| SCHEMBL22389524 | 0.78 | — | — | |
| SCHEMBL22389560 | 0.78 | — | — | |
| SCHEMBL16180647 | 0.77 | — | — | |
| SCHEMBL10779115 | 0.73 | CETP (0.33) | — | |
| SCHEMBL22389534 | 0.73 | — | — | |
| SCHEMBL7261886 | 0.73 | SLC6A3 (0.33) | — | |
| SCHEMBL29069277 | 0.73 | — | — | |
| SCHEMBL28868084 | 0.72 | ESR1 (0.30) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4746735-A | NITRATING AGENT, SOLVENT, SMALL AMOUNT OF SULFURIC ACID CATALYST | THE DOW CHEMICAL COMPANY (US) | 1988-05-24 | — | — | US | claimed |
| EP-3049502-B1 | LONG-TERM STABLE PHOTOACTIVE COMPOSITION, SUCH AS PHOSPHORESCENT COMPOSITION OR TTA-PHOTON UPCONVERSION COMPOSITION | MAX PLANCK GESELLSCHAFT (DE) | 2020-04-01 | — | — | EP | disclosed |
| US-10400164-B2 | Long-term stable photoactive composition, such as phosphorescent composition or TTA-photon upconversion composition | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2019-09-03 | — | — | US | disclosed |
| US-20160222286-A1 | LONG-TERM STABLE PHOTOACTIVE COMPOSITION, SUCH AS PHOSPHORESCENT COMPOSITION OR TTA-PHOTON UPCONVERSION COMPOSITION | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2016-08-04 | — | — | US | disclosed |
| EP-3049502-A1 | LONG-TERM STABLE PHOTOACTIVE COMPOSITION, SUCH AS PHOSPHORESCENT COMPOSITION OR TTA-PHOTON UPCONVERSION COMPOSITION | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2016-08-03 | — | — | EP | disclosed |
| WO-2015044129-A1 | LONG-TERM STABLE PHOTOACTIVE COMPOSITION, SUCH AS PHOSPHORESCENT COMPOSITION OR TTA-PHOTON UPCONVERSION COMPOSITION | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2015-04-02 | — | — | WO | disclosed |
| EP-2851407-A1 | Long-term stable photoactive composition, such as phosphorescent composition or TTA-photon upconversion composition | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2015-03-25 | — | — | EP | disclosed |
| US-4746735-A | NITRATING AGENT, SOLVENT, SMALL AMOUNT OF SULFURIC ACID CATALYST | THE DOW CHEMICAL COMPANY (US) | 1988-05-24 | — | — | US | disclosed |