⚠ 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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL27823715 | 0.96 | — | — | |
| Methacrylic Acid SCHEMBL28072794 | 0.91 | TGFBR1 (0.31) | — | |
| Methacrylic Acid SCHEMBL9007731 | 0.91 | TGFBR1 (0.31) | — | |
| SCHEMBL29655611 | 0.89 | THRB (0.32) | — | |
| SCHEMBL406393 | 0.89 | THRB (0.32) | — | |
| SCHEMBL9682436 | 0.87 | THRB (0.31) | — | |
| Methacrylic Acid SCHEMBL443711 | 0.87 | TGFBR1 (0.32) | — | |
| Methacrylic Acid SCHEMBL1974753 | 0.87 | TGFBR1 (0.32) | — | |
| Methacrylic Acid SCHEMBL4878336 | 0.87 | TGFBR1 (0.32) | — | |
| Methacrylic Acid SCHEMBL9194150 | 0.87 | TGFBR1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5569716-A | COMPRISING A HYDROCARBON RUBBER, A VULCANIZING OR CROSSLINKING AGENT AND A HYDROGENATED PETROLEUM RESIN | IDEMITSU PETROCHEMICAL CO., LTD. (JP) | 1996-10-29 | — | — | US | claimed |