⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8749435 | 1.00 | — | — | |
| SCHEMBL8995859 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL8749650 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL8749653 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL8995831 | 0.97 | — | — | |
| SCHEMBL8749627 | 0.81 | — | — | |
| SCHEMBL8749634 | 0.81 | — | — | |
| SCHEMBL8749630 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL8995825 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL8995816 | 0.79 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5516806-A | ANTITUMOR | CIBA-GEIGY CORPORATION (US) | 1996-05-14 | — | — | US | claimed |
| EP-0644872-A1 | ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS. | CIBA GEIGY AG (CH) | 1995-03-29 | — | — | EP | claimed |
| WO-1994024093-A1 | ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS | CIBA-GEIGY AG (CH) | 1994-10-27 | — | — | WO | claimed |
| WO-2014143799-A9 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES, INC. (US) | 2014-12-24 | — | — | WO | disclosed |
| EP-0644872-B1 | ORNITHINE DECARBOXYLASE INHIBITING CYCLIC AMINOOXY COMPOUNDS | CIBA GEIGY AG (CH) | 1997-03-19 | — | — | EP | disclosed |