⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL223732 | 0.76 | — | — | |
| SCHEMBL6933270 | 0.74 | LDHA (0.38) | — | |
| SCHEMBL6933272 | 0.74 | LDHA (0.38) | — | |
| Acetoacetic Acid SCHEMBL28196823 | 0.72 | KDM4E (0.44) | — | |
| SCHEMBL8036089 | 0.72 | SLC22A6 (0.52) | — | |
| SCHEMBL7880615 | 0.71 | — | — | |
| Acetoacetic Acid SCHEMBL10916658 | 0.69 | — | — | |
| Acetoacetic Acid SCHEMBL14332619 | 0.69 | — | — | |
| SCHEMBL1960727 | 0.69 | — | — | |
| Malonic Acid SCHEMBL4013439 | 0.68 | LDHA (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 |
|---|---|---|---|---|---|---|---|
| JP-8048701-A | — | — | None | — | — | JP | disclosed |
| JP-H0848701-A | PREPARATION OF HIGHLY DIELECTRIC CELLULOSE DERIVATIVE HAVING LOWERED VISCOSITY | SHIN ETSU CHEM CO LTD | 1996-02-20 | — | — | JP | disclosed |