⚠ 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 | |
|---|---|---|---|---|
| Trichlorethanol SCHEMBL1027 | 0.91 | — | — | |
| Trichlorethanol SCHEMBL10345797 | 0.87 | — | — | |
| Trichlorethanol SCHEMBL2902547 | 0.86 | — | — | |
| Trichlorethanol SCHEMBL2024850 | 0.86 | — | — | |
| Trichlorethanol SCHEMBL1756486 | 0.86 | — | — | |
| Trichlorethanol SCHEMBL1065673 | 0.86 | — | — | |
| Trichlorethanol SCHEMBL9192356 | 0.86 | MEN1 (0.33) | — | |
| Trichlorethanol SCHEMBL7734188 | 0.82 | — | — | |
| Trichlorethanol SCHEMBL5185962 | 0.82 | — | — | |
| Trichlorethanol SCHEMBL10369880 | 0.82 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108295052-A | The application of I. henry Diels glycosides ether and composition in urarthritis | 中国人民解放军第二军医大学 | 2018-07-20 | — | — | CN | disclosed |
| WO-2002085861-A1 | IMIDAZOLIDINE COMPOUNDS AND THEIR USE AS CXCR3 ANTAGONISTS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2002-10-31 | — | — | WO | disclosed |
| US-6469002-B1 | COMPOUNDS WHICH MODULATE CHEMOKINE RECEPTOR ACTIVITY AND ARE USEFUL IN TREATMENT OF INFLAMMATORY DISEASES | MILLENNIUM PHARMACEUTICALS, INC. | 2002-10-22 | — | — | US | disclosed |
| EP-0548798-A1 | Antiviral agent | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 1993-06-30 | — | — | EP | disclosed |