⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17755490 | 0.76 | — | — | |
| SCHEMBL27968686 | 0.74 | — | — | |
| SCHEMBL28000372 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL3369217 | 0.71 | — | — | |
| SCHEMBL14819853 | 0.67 | — | — | |
| SCHEMBL10336651 | 0.67 | — | — | |
| SCHEMBL20843743 | 0.66 | MGLL (0.49) | — | |
| Thiosemicarbazide SCHEMBL28184701 | 0.65 | — | — | |
| Thiosemicarbazide SCHEMBL29028447 | 0.65 | — | — | |
| SCHEMBL24935005 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105518043-A | Co2 containing foams and related methods | NOVOMER INC | 2016-04-20 | — | — | CN | disclosed |