⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL169397 | 1.00 | — | — | |
| SCHEMBL5310988 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL396086 | 0.97 | — | — | |
| Acetic Acid SCHEMBL6244288 | 0.91 | PTGS1 (0.50) | — | |
| SCHEMBL1964879 | 0.86 | PTGS1 (0.55) | — | |
| SCHEMBL20657045 | 0.86 | PTGS1 (0.55) | — | |
| Hydrochloric Acid SCHEMBL11053790 | 0.84 | PTGS1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL11053789 | 0.84 | PTGS1 (0.52) | — | |
| SCHEMBL11125227 | 0.82 | PTGS1 (0.50) | — | |
| SCHEMBL462748 | 0.81 | PTGS1 (0.55) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8940701-B2 | Compounds for, and methods of, treating cancer and inhibiting invasion and metastases | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2015-01-27 | — | — | US | disclosed |
| US-20120077755-A1 | Compounds For, and Methods of, Treating Cancer and Inhibiting Invasion and Metastases | THE REGENTS OF THE UNIVERSITY OF MICHIGAN | 2012-03-29 | — | — | US | disclosed |
| WO-2010132537-A1 | COMPOUNDS FOR, AND METHODS OF, TREATING CANCER AND INHIBITING INVASION AND METASTASES | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2010-11-18 | — | — | WO | disclosed |