⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8715654 | 0.79 | — | — | |
| Cyclohexane SCHEMBL9488552 | 0.74 | — | — | |
| SCHEMBL1288241 | 0.74 | CYP3A4 (0.32) | — | |
| SCHEMBL8719152 | 0.73 | — | — | |
| SCHEMBL8719153 | 0.73 | — | — | |
| SCHEMBL6232511 | 0.71 | ALDH1A1 (0.33) | — | |
| Cyclohexane SCHEMBL8719141 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL29010915 | 0.68 | — | — | |
| SCHEMBL13422411 | 0.68 | ALDH1A1 (0.39) | — | |
| Methylene Chloride SCHEMBL9490200 | 0.68 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0722448-A4 | O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY | MERCK & CO INC (US) | 1998-04-29 | — | — | EP | disclosed |
| US-5693648-A | TREATMENT OF AUTOIMMUNE DISEASES, INFECTIOUS DISEASES, PREVENTING REJECTION OF ORGAN TRANSPLANTS | MERCK & CO., INC. (US) | 1997-12-02 | — | — | US | disclosed |
| US-5565560-A | TREATING AUTOIMMUNE DISEASES, PREVENTING TRANSPLANT REJECTION | MERCK & CO., INC. (US) | 1996-10-15 | — | — | US | disclosed |
| EP-0722448-A1 | O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY | MERCK & CO. INC. (US) | 1996-07-24 | — | — | EP | disclosed |
| US-5532248-A | O-aryl,O-alkyl, and O-alkenyl-macrolides having immunosuppressive activity | MERCK CO., INC. (US) | 1996-07-02 | — | — | US | disclosed |
| WO-1995009857-A1 | O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY | MERCK & CO., INC. (US) | 1995-04-13 | — | — | WO | disclosed |
| US-5250678-A | For autoimmune, infectious diseases, organ transplant rejection; skin diseases, antiinflammatory agents | MERCK & CO., INC. (US) | 1993-10-05 | — | — | US | disclosed |
| EP-0515071-A2 | O-aryl, O-alkyl, O-alkenyl and O-alkynylmacrolides having immunosuppressive activity | MERCK & CO. INC. (US) | 1992-11-25 | — | — | EP | disclosed |