⚠ 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 | |
|---|---|---|---|---|
| Benzyl Alcohol SCHEMBL433990 | 1.00 | TSHR (1.00) | — | |
| Benzyl Alcohol SCHEMBL11353823 | 1.00 | TSHR (1.00) | — | |
| Benzyl Alcohol SCHEMBL11680991 | 1.00 | TSHR (1.00) | — | |
| Benzyl Alcohol SCHEMBL147 | 1.00 | — | — | |
| Benzyl Alcohol SCHEMBL9066990 | 1.00 | TSHR (1.00) | — | |
| Benzyl Alcohol SCHEMBL11701213 | 0.97 | TSHR (0.93) | — | |
| Benzyl Alcohol SCHEMBL3341339 | 0.97 | — | — | |
| Benzyl Alcohol SCHEMBL5692318 | 0.97 | — | — | |
| Benzyl Alcohol SCHEMBL6918395 | 0.97 | — | — | |
| Benzyl Alcohol SCHEMBL9725544 | 0.97 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9673030-B2 | Computer readable storage mediums, methods and systems for normalizing chemical profiles in biological or medical samples detected by mass spectrometry | EMORY UNIVERSITY (US) | 2017-06-06 | — | — | US | disclosed |
| US-20110282587-A1 | COMPUTER READABLE STORAGE MEDIUMS, METHODS AND SYSTEMS FOR NORMALIZING CHEMICAL PROFILES IN BIOLOGICAL OR MEDICAL SAMPLES DETECTED BY MASS SPECTROMETRY | EMORY UNIVERSITY (US) | 2011-11-17 | — | — | US | disclosed |
| US-5808109-A | SPIROBENZOFURAN-CYCLOALKANES | T CELL SCIENCES, INC. (US) | 1998-09-15 | — | — | US | disclosed |
| US-5656659-A | SUBSTITUTED DIHYDROBENZOFURAN COMPOUNDS | T CELL SCIENCES, INC. (US) | 1997-08-12 | — | — | US | disclosed |
| US-5506247-A | Compounds that inhibit complement and/or suppress immune activity | T CELL SCIENCES, INC. (US) | 1996-04-09 | — | — | US | disclosed |
| US-5401767-A | Compounds which inhibit complement and/or suppress immune activity | T CELL SCIENCES, INC. (US) | 1995-03-28 | — | — | US | disclosed |
| US-5366986-A | SPIROBENZOFURAN-2(3H)-CYCLOALKANE COMPOUNDS | T CELL SCIENCES, INC. (US) | 1994-11-22 | — | — | US | disclosed |
| EP-0561989-A4 | — | — | 1994-03-09 | — | — | EP | disclosed |
| EP-0561989-A1 | COMPOUNDS THAT INHIBIT COMPLEMENT AND/OR SUPPRESS IMMUNE ACTIVITY | T CELL SCIENCES, INC. (US) | 1993-09-29 | — | — | EP | disclosed |
| US-5173499-A | 4-Methoxyspiro(benzofuran-2,1'-cyclohexane)-7-N-methyl-carboxamides and derivatives; autoimmune diseases; antiischemic agents; respiratory system disorders | T CELL SCIENCES, INC. (US) | 1992-12-22 | — | — | US | disclosed |
| WO-1992010096-A1 | COMPOUNDS THAT INHIBIT COMPLEMENT AND/OR SUPPRESS IMMUNE ACTIVITY | T CELL SCIENCES, INC. (US) | 1992-06-25 | — | — | WO | disclosed |