⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1695333 | 0.72 | — | — | |
| SCHEMBL6136744 | 0.68 | — | — | |
| SCHEMBL10697550 | 0.68 | — | — | |
| SCHEMBL18035806 | 0.68 | — | — | |
| SCHEMBL8827254 | 0.68 | — | — | |
| SCHEMBL7052944 | 0.68 | HDAC8 (0.33) | — | |
| Hydrochloric Acid SCHEMBL8919518 | 0.67 | HDAC8 (0.32) | — | |
| Iodide SCHEMBL11385777 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL6674511 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8922699 | 0.67 | HDAC8 (0.32) | — |
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-57114540-A | — | — | None | — | — | JP | disclosed |
| JP-S57114540-A | ISOMERIZATION OF BISPHENOLS | MITSUBISHI CHEM IND LTD | 1982-07-16 | — | — | JP | disclosed |