⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL1827725 | 0.98 | — | — | |
| SCHEMBL2888595 | 0.87 | — | — | |
| Water SCHEMBL445436 | 0.87 | MEN1 (0.31) | — | |
| Water SCHEMBL3635067 | 0.85 | — | — | |
| SCHEMBL18480410 | 0.81 | EPHX1 (0.32) | — | |
| SCHEMBL13017382 | 0.68 | ATM (0.37) | — | |
| Water SCHEMBL117889 | 0.65 | EPHX1 (0.31) | — | |
| SCHEMBL5129198 | 0.64 | CA1 (0.61) | — | |
| SCHEMBL195067 | 0.63 | — | — | |
| SCHEMBL5874546 | 0.63 | SLC22A1 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110201581-A1 | Novel Compounds 010 | ASTRAZENECA AB (SE) | 2011-08-18 | — | — | US | disclosed |
| US-5346893-A | Treatment of transplantation rejection, autoimmune diseases; antiinflammatory agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-09-13 | — | — | US | disclosed |
| US-5260299-A | Treats transplantation rejection, host versus graft disease and diseases of inflammation by administering in mammals | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-11-09 | — | — | US | disclosed |
| WO-1993018043-A1 | NOVEL RAPAMYCIN 42-SULFONATES AND 42-(N-CARBOALKOXY)SULFAMATES USEFUL AS IMMUNOSUPPRESSIVE AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-09-16 | — | — | WO | disclosed |
| US-5177203-A | Rapamycin 42-sulfonates and 42-(N-carboalkoxy) sulfamates useful as immunosuppressive agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1993-01-05 | — | — | US | disclosed |