⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12570877 | 0.87 | — | — | |
| SCHEMBL9947122 | 0.83 | — | — | |
| SCHEMBL7181757 | 0.77 | TSHR (0.39) | — | |
| SCHEMBL8737019 | 0.77 | — | — | |
| SCHEMBL9945702 | 0.75 | — | — | |
| SCHEMBL9967756 | 0.75 | — | — | |
| SCHEMBL3665700 | 0.74 | — | — | |
| SCHEMBL28663399 | 0.74 | — | — | |
| SCHEMBL21086433 | 0.73 | — | — | |
| SCHEMBL18651551 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7745424-B2 | Alkane diol derivatives as therapeutic agents for the treatment of bone conditions | The Univeristy Court of the University of Aberdeen (GB) | 2010-06-29 | — | — | US | disclosed |
| US-7598289-B2 | Ketones and reduced ketones as therapeutic agents for the treatment of bone conditions | THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) | 2009-10-06 | — | — | US | disclosed |
| US-20080312186-A1 | KETONES AND REDUCED KETONES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS | THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) | 2008-12-18 | — | — | US | disclosed |