⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10427292 | 0.69 | TDP1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL8404935 | 0.68 | ALDH1A1 (0.54) | — | |
| SCHEMBL21581946 | 0.65 | MAOB (0.51) | — | |
| SCHEMBL29715080 | 0.65 | MAOB (0.51) | — | |
| SCHEMBL353445 | 0.61 | PTPRC (0.31) | — | |
| Hydrochloric Acid SCHEMBL8973466 | 0.60 | PTPRC (0.31) | — | |
| SCHEMBL271403 | 0.57 | KDM4E (0.44) | — | |
| SCHEMBL18368348 | 0.57 | DPP4 (0.37) | — | |
| SCHEMBL30670233 | 0.57 | KDM4E (0.44) | — | |
| SCHEMBL20366857 | 0.56 | CDC25B (0.56) | — |
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-20150190411-A1 | ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2015-07-09 | — | — | US | disclosed |
| EP-2590959-A1 | XANTHENEDIONE DERIVATIVES FOR THE TREATMENT OF PIGMENTATION AND SKIN AGEING DISORDERS | Pierre Fabre Dermo-Cosmétique (FR) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004390-A1 | XANTHENEDIONE DERIVATIVES FOR THE TREATMENT OF PIGMENTATION AND SKIN AGEING DISORDERS | PIERRE FABRE DERMO-COSMETIQUE (FR) | 2012-01-12 | — | — | WO | disclosed |
| EP-2317994-A2 | ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL | Massachusetts Institute of Technology (US) | 2011-05-11 | — | — | EP | disclosed |
| US-20100075926-A1 | ACTIVATION OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-03-25 | — | — | US | disclosed |
| WO-2010011318-A2 | ACTIVATIQN OF HISTONE DEACETYLASE 1 (HDAC1) PROTECTS AGAINST DNA DAMAGE AND INCREASES NEURONAL SURVIVAL | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-01-28 | — | — | WO | disclosed |