⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27345036 | 0.98 | TDP1 (0.41) | — | |
| SCHEMBL11564164 | 0.79 | — | — | |
| SCHEMBL3482652 | 0.76 | TDP1 (0.57) | — | |
| SCHEMBL162070 | 0.76 | — | — | |
| SCHEMBL23363161 | 0.74 | — | — | |
| SCHEMBL18191097 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL9527947 | 0.73 | TDP1 (0.44) | — | |
| SCHEMBL9285893 | 0.71 | TDP1 (0.52) | — | |
| SCHEMBL8867710 | 0.71 | TDP1 (0.47) | — | |
| SCHEMBL14657037 | 0.70 | GABRP (0.44) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102414190-B | Inhibitors of NF-kB | PROFECTUS BIOSCIENCES INC | 2015-06-03 | — | — | CN | disclosed |
| EP-2411376-B1 | INHIBITORS OF NF-KB | PROFECTUS BIOSCIENCES INC (US) | 2015-04-22 | — | — | EP | disclosed |
| US-8629164-B2 | Inhibitors of NF-κB | PROFECTUS BIOSCIENCES, INC. (US) | 2014-01-14 | — | — | US | disclosed |
| CN-102414190-A | Inhibitors of NF-kB | PROFECTUS BIOSCIENCES INC | 2012-04-11 | — | — | CN | disclosed |
| EP-2411376-A1 | INHIBITORS OF NF-KB | Profectus Biosciences, Inc. (US) | 2012-02-01 | — | — | EP | disclosed |
| US-20120015952-A1 | Inhibitors of NF-KB | PROFECTUS BIOSCIENCES, INC. (US) | 2012-01-19 | — | — | US | disclosed |
| WO-2010111460-A1 | INHIBITORS OF NF-KB | PROFECTUS BIOSCIENCES, INC. (US) | 2010-09-30 | — | — | WO | disclosed |
| CN-1021910-C | LANKACIDIN DERIVATIVES AND PRODUCTION THEREOF | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1993-08-25 | — | — | CN | disclosed |
| US-4167575-A | BIOCIDES | ROHM AND HAAS COMPANY (US) | 1979-09-11 | — | — | US | disclosed |
| US-4053479-A | BIOCIDES | ROHM AND HAAS COMPANY (US) | 1977-10-11 | — | — | US | disclosed |
| US-3957808-A | BIOCIDES | ROHM AND HAAS COMPANY (US) | 1976-05-18 | — | — | US | disclosed |