⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8957322 | 0.93 | CCNA2 (0.41) | — | |
| SCHEMBL23829716 | 0.90 | — | — | |
| SCHEMBL6438537 | 0.90 | ALDH1A1 (0.40) | — | |
| SCHEMBL9875012 | 0.90 | ALDH1A1 (0.40) | — | |
| Hydrochloric Acid SCHEMBL7808115 | 0.81 | PRKCQ (0.31) | — | |
| Hydrochloric Acid SCHEMBL7816475 | 0.81 | MMP2 (0.33) | — | |
| SCHEMBL9152348 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL7817737 | 0.80 | MMP2 (0.35) | — | |
| SCHEMBL8260874 | 0.80 | TDP1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL7816874 | 0.79 | PLG (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9133150-B2 | O-nitro compounds and pharmaceutical compositions including same | ORBITAL ATK, INC. (US) | 2015-09-15 | — | — | US | disclosed |
| US-20130309324-A1 | O-NITRO COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS INCLUDING SAME | RADIORX, INC., C/O INTERWEST VENTURE PARTNERS (US) | 2013-11-21 | — | — | US | disclosed |
| US-8530681-B2 | Pharmaceutical compositions of O-nitro compounds | ALLIANT TECHSYSTEMS INC. (US) | 2013-09-10 | — | — | US | disclosed |
| US-20120237615-A1 | PHARMACEUTICAL COMPOSITIONS OF O-NITRO COMPOUNDS | RADIORX, INC., C/O INTERWEST VENTURE PARTNERS (US) | 2012-09-20 | — | — | US | disclosed |
| US-20070135380-A1 | O-nitro compounds, pharmaceutical compositions thereof and uses thereof | RADIORX, INC. (US) | 2007-06-14 | — | — | US | disclosed |
| EP-0689435-A1 | USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE | BYK NEDERLAND BV (NL) | 1996-01-03 | — | — | EP | disclosed |
| WO-1994021248-A1 | USE OF SUBSTITUTED ALKYL NITRATES FOR THE TREATMENT OF PATHOLOGICALLY INCREASED INTRA-OCULAR PRESSURE | BYK NEDERLAND BV (NL) | 1994-09-29 | — | — | WO | disclosed |