⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL214384 | 0.72 | — | — | |
| Fluoride SCHEMBL27718729 | 0.69 | — | — | |
| SCHEMBL28785689 | 0.65 | — | — | |
| Butadiene SCHEMBL28898158 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL2272204 | 0.64 | — | — | |
| SCHEMBL2273402 | 0.63 | — | — | |
| SCHEMBL27820876 | 0.63 | — | — | |
| SCHEMBL7186307 | 0.63 | — | — | |
| Butadiene SCHEMBL7113353 | 0.60 | — | — | |
| SCHEMBL3698552 | 0.60 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1098659-A4 | LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS | METAPHORE INC (US) | 2004-11-24 | — | — | EP | claimed |
| EP-1098659-A2 | LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS | Metaphore, Inc. (US) | 2001-05-16 | — | — | EP | claimed |
| WO-2000004868-A2 | LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS | METAPHORE, INC. (US) | 2000-02-03 | — | — | WO | claimed |
| EP-1098659-A4 | LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS | METAPHORE INC (US) | 2004-11-24 | — | — | EP | disclosed |
| EP-1098659-A2 | LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS | Metaphore, Inc. (US) | 2001-05-16 | — | — | EP | disclosed |
| WO-2000004868-A2 | LIBRARIES OF POLYHYDROXAMATES AND THEIR ANALOGS | METAPHORE, INC. (US) | 2000-02-03 | — | — | WO | disclosed |