⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8989292 | 1.00 | — | — | |
| SCHEMBL206562 | 0.91 | — | — | |
| SCHEMBL206561 | 0.91 | — | — | |
| SCHEMBL29838521 | 0.91 | — | — | |
| Bicarbonate SCHEMBL4555153 | 0.81 | ALDH1A1 (0.36) | — | |
| SCHEMBL849108 | 0.77 | KMT2A (0.46) | — | |
| SCHEMBL849107 | 0.77 | KMT2A (0.46) | — | |
| SCHEMBL1305490 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL1305493 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL10524406 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0719294-A1 | A NEW CATALYST FOR RING-OPENING METATHESIS POLYMERIZATION | EXXON CHEMICAL PATENTS INC. (US) | 1996-07-03 | — | — | EP | disclosed |
| WO-1995001388-A1 | A NEW CATALYST FOR RING-OPENING METATHESIS POLYMERIZATION | EXXON CHEMICAL PATENTS INC. (US) | 1995-01-12 | — | — | WO | disclosed |