⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4475373 | 0.99 | — | — | |
| SCHEMBL7884124 | 0.81 | SETD7 (0.32) | — | |
| Hydrochloric Acid SCHEMBL439426 | 0.79 | SETD7 (0.31) | — | |
| SCHEMBL9246376 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL7622385 | 0.75 | — | — | |
| Biphenyl SCHEMBL648880 | 0.75 | — | — | |
| SCHEMBL4463160 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL822280 | 0.69 | — | — | |
| SCHEMBL4471211 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6756988 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5444125-A | Having excellent adhesion, printability, compatibility in blends | MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) | 1995-08-22 | — | — | US | disclosed |