⚠ 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 | |
|---|---|---|---|---|
| Ethylene SCHEMBL7910315 | 0.95 | — | — | |
| SCHEMBL15737510 | 0.78 | — | — | |
| SCHEMBL15737512 | 0.78 | — | — | |
| SCHEMBL3628061 | 0.70 | — | — | |
| SCHEMBL13225341 | 0.69 | CRBN (0.40) | — | |
| SCHEMBL28272915 | 0.68 | — | — | |
| SCHEMBL7914021 | 0.67 | TRIM24 (0.30) | — | |
| SCHEMBL1325684 | 0.67 | — | — | |
| SCHEMBL13225340 | 0.65 | CRBN (0.36) | — | |
| SCHEMBL2487746 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5691272-A | Carboxylate and heat-sensitive recording material using same | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-11-25 | — | — | US | disclosed |
| US-5559247-A | Carboxylate and heat-sensitive recording material using same | MITSUI TOATSU CHEMICALS, INC. (JP) | 1996-09-24 | — | — | US | disclosed |