⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25190482 | 0.73 | — | — | |
| SCHEMBL556639 | 0.65 | — | — | |
| SCHEMBL9719073 | 0.64 | — | — | |
| SCHEMBL2970730 | 0.64 | — | — | |
| SCHEMBL3790525 | 0.64 | — | — | |
| SCHEMBL9719065 | 0.64 | — | — | |
| SCHEMBL25497 | 0.61 | — | — | |
| SCHEMBL63211 | 0.61 | — | — | |
| SCHEMBL2567996 | 0.60 | — | — | |
| SCHEMBL8380482 | 0.60 | TSHR (0.50) | — |
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-20060130855-A1 | Smoking article with mercaptopropyl functionalized sorbent and method | PHILIP MORRIS USA INC. | 2006-06-22 | — | — | US | disclosed |
| US-6649083-B1 | Combined porous organic and inorganic oxide materials prepared by non-ionic surfactant templating route | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY | 2003-11-18 | — | — | US | disclosed |
| US-6465387-B1 | METHOD FOR PREPARING SYNTHETIC, SEMI-CRYSTALLINE, POROUS INORGANIC OXIDE COMPOSITION CONTAINING A REACTIVE ORGANIC SILANE MOIETY WHICH IS ON THE SURFACE OR PORE WALLS | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY | 2002-10-15 | — | — | US | disclosed |
| WO-2001012564-A1 | COMBINED POROUS ORGANIC AND INORGANIC OXIDE MATERIALS PREPARED BY NON-IONIC SURFACTANT TEMPLATING ROUTE | MICHIGAN STATE UNIVERSITY (US) | 2001-02-22 | — | — | WO | disclosed |