⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14727260 | 0.79 | PYCR1 (0.39) | — | |
| SCHEMBL14727228 | 0.79 | PYCR1 (0.39) | — | |
| SCHEMBL20018587 | 0.79 | PYCR1 (0.39) | — | |
| SCHEMBL235759 | 0.78 | KDM4E (0.36) | — | |
| SCHEMBL317785 | 0.78 | KDM4E (0.36) | — | |
| Hydrochloric Acid SCHEMBL10694337 | 0.75 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL10694332 | 0.75 | KDM4E (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL9748105 | 0.75 | KDM4E (0.34) | — | |
| SCHEMBL1003884 | 0.74 | — | — | |
| SCHEMBL1003883 | 0.74 | — | — |
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-1010015-B | Process for preparing 2-substituted 3-sulfopropyl-betaines | DER AKADEMIE DER WISSENSCHAFTR (DD) | 1990-10-17 | — | — | CN | disclosed |