⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8017411 | 0.80 | — | — | |
| SCHEMBL30455544 | 0.74 | — | — | |
| Acrylic Acid SCHEMBL8027301 | 0.71 | LMNA (0.30) | — | |
| SCHEMBL13719259 | 0.69 | — | — | |
| SCHEMBL5401937 | 0.64 | PTPN1 (0.33) | — | |
| SCHEMBL8483280 | 0.64 | PTPN1 (0.33) | — | |
| SCHEMBL13718841 | 0.64 | — | — | |
| SCHEMBL11929793 | 0.63 | — | — | |
| SCHEMBL7182277 | 0.63 | — | — | |
| SCHEMBL5918125 | 0.62 | TSHR (0.31) | — |
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-6077644-A | Positive-working resist composition | TOKYO OHKA KOGYO CO., LTD. (JP) | 2000-06-20 | — | — | US | claimed |