⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1434203 | 0.74 | — | — | |
| SCHEMBL3672063 | 0.72 | — | — | |
| SCHEMBL10839040 | 0.72 | GPR84 (0.47) | — | |
| SCHEMBL5844197 | 0.72 | — | — | |
| SCHEMBL904427 | 0.72 | — | — | |
| SCHEMBL131361 | 0.71 | ALDH1A1 (0.67) | — | |
| SCHEMBL1944623 | 0.70 | — | — | |
| Bromide SCHEMBL3838238 | 0.70 | HDAC8 (0.48) | — | |
| Hydrochloric Acid SCHEMBL8850837 | 0.70 | CYP3A4 (0.39) | — | |
| Hydrochloric Acid SCHEMBL6141094 | 0.70 | LOXL2 (0.43) | — |
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-8287631-B2 | Compounds for preventing ghost odour | THOR GMBH (DE) | 2012-10-16 | — | — | US | disclosed |
| US-20100186631-A1 | Compounds for preventing ghost odour | THOR GMBH (DE) | 2010-07-29 | — | — | US | disclosed |
| US-20090304589-A1 | RADIATION SENSITIVE LIPOSOMES | VARIAN MEDICAL SYSTEMS,INC. (US) | 2009-12-10 | — | — | US | disclosed |
| WO-2009042839-A1 | RADIATION SENSITIVE LIPOSOMES | VARIAN MEDICAL SYSTEMS, INC. (US) | 2009-04-02 | — | — | WO | disclosed |