⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24717630 | 0.94 | — | — | |
| SCHEMBL8250045 | 0.78 | CRBN (0.33) | — | |
| SCHEMBL14265506 | 0.74 | — | — | |
| SCHEMBL7621561 | 0.72 | CA1 (0.35) | — | |
| SCHEMBL8269461 | 0.70 | — | — | |
| SCHEMBL18717440 | 0.69 | — | — | |
| SCHEMBL11917928 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL7946755 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL14916972 | 0.68 | ALDH1A1 (0.34) | — | |
| SCHEMBL7619541 | 0.68 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8188080-B2 | VHR protein tyrosine phosphatase inhibitors, compositions and methods of use | SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) | 2012-05-29 | — | — | US | disclosed |
| US-7795444-B2 | Human protein tyrosine phosphatase inhibitors and methods of use | Warner Chilcott Company (US) | 2010-09-14 | — | — | US | disclosed |
| US-20090105254-A1 | VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE | BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) | 2009-04-23 | — | — | US | disclosed |
| US-20080004267-A1 | Human protein tyrosine phosphatase inhibitors and methods of use | THE PROCTER & GAMBLE COMPANY (US) | 2008-01-03 | — | — | US | disclosed |