⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL454650 | 0.82 | THRB (0.30) | — | |
| SCHEMBL4331183 | 0.81 | MEN1 (0.31) | — | |
| SCHEMBL284284 | 0.81 | NAAA (0.32) | — | |
| SCHEMBL30185994 | 0.79 | — | — | |
| Ethane SCHEMBL28205575 | 0.79 | NAAA (0.31) | — | |
| SCHEMBL7184279 | 0.78 | — | — | |
| SCHEMBL3858081 | 0.77 | DPP4 (0.30) | — | |
| SCHEMBL134073 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL29618128 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL16241191 | 0.76 | ALDH1A1 (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7511177-B2 | Fluoroadamantane derivative | ASAHI GLASS COMPANY, LIMITED (JP) | 2009-03-31 | — | — | US | disclosed |
| US-7488847-B2 | Fluorinated adamantane and its derivatives | ASAHI GLASS COMPANY, LIMITED (JP) | 2009-02-10 | — | — | US | disclosed |
| US-7402714-B2 | Fluoroadamantane derivative | ASAHI GLASS COMPANY, LIMITED (JP) | 2008-07-22 | — | — | US | disclosed |
| US-20080132736-A1 | FLUOROADAMANTANE DERIVATIVE | ASAHI GLASS COMPANY, LIMITED (JP) | 2008-06-05 | — | — | US | disclosed |
| US-20070129566-A1 | FLUOROADAMANTANE DERIVATIVE | ASAHI GLASS COMPANY, LIMITED (JP) | 2007-06-07 | — | — | US | disclosed |
| US-20050288528-A1 | Fluorinated adamantane and its derivatives | ASAHI GLASS COMPANY LIMITED (JP) | 2005-12-29 | — | — | US | disclosed |