⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL282605 | 0.85 | ALDH1A1 (0.44) | — | |
| SCHEMBL14463127 | 0.84 | — | — | |
| SCHEMBL9622199 | 0.84 | — | — | |
| SCHEMBL5832205 | 0.83 | LMNA (0.48) | — | |
| SCHEMBL337832 | 0.83 | — | — | |
| SCHEMBL22654527 | 0.83 | THRB (0.44) | — | |
| SCHEMBL11004533 | 0.82 | THRB (0.35) | — | |
| SCHEMBL14314775 | 0.82 | — | — | |
| SCHEMBL10796538 | 0.81 | LMNA (0.52) | — | |
| SCHEMBL5857227 | 0.81 | LMNA (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6198003-B1 | FORMING VAPOR PHASE REACTION MIXTURE OF ALKANOL, HYDROGEN SULFIDE AND CARBON DIOXIDE, CONTACTING WITH SOLID PHASE CATALYST, WITHDRAWING ALKYL MERCAPTAN AND/OR DIALKYL MONOSULFIDE PRODUCT, SEPARATING AND RECYCLING CARBON DIOXIDE | ALBEMARLE CORPORATION | 2001-03-06 | — | — | US | disclosed |
| EP-0563557-B1 | Volatile rate earth metal alkoxides, especially for the preparation of rare earth metal oxides, and alcohols for the synthesis of volatile compounds | PATENT TREUHAND GES FUER ELEKTRISCHE GLUEHLAMPEN MBH (DE) | 1998-08-12 | — | — | EP | disclosed |
| EP-0563557-A2 | Volatile rate earth metal alkoxides, especially for the preparation of rare earth metal oxides, and alcohols for the synthesis of volatile compounds | Patent-Treuhand-Gesellschaft für elektrische Glühlampen mbH (DE) | 1993-10-06 | — | — | EP | disclosed |
| EP-0063713-A1 | Dichroic anthraquinone dyes, liquid crystal dielectrics containing them and electro-optical display | MERCK PATENT GmbH (DE) | 1982-11-03 | — | — | EP | disclosed |