⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8022751 | 0.81 | — | — | |
| SCHEMBL8017260 | 0.76 | CA12 (0.30) | — | |
| SCHEMBL9572377 | 0.68 | RORC (0.52) | — | |
| SCHEMBL8006137 | 0.68 | — | — | |
| SCHEMBL8006176 | 0.67 | — | — | |
| SCHEMBL835753 | 0.67 | ESR1 (0.45) | — | |
| SCHEMBL8014689 | 0.67 | MEN1 (0.30) | — | |
| SCHEMBL8022585 | 0.65 | — | — | |
| SCHEMBL2855402 | 0.64 | ESR2 (0.38) | — | |
| SCHEMBL8015587 | 0.64 | SLC6A2 (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-6030746-A | CHEMICALLY AMPLIFIED POSITIVE RESIST COMPRISES A ORGANIC SOLVENT, AN ALKALI SOLUBLE RESIN, A PHOTOACID GENERATOR AND A DISSOLUTION RATE REGULATOR | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2000-02-29 | — | — | US | disclosed |