⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1977706 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL19543358 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL1023905 | 0.69 | THRB (0.30) | — | |
| SCHEMBL309862 | 0.69 | — | — | |
| SCHEMBL900364 | 0.68 | — | — | |
| SCHEMBL9801981 | 0.68 | TAAR1 (0.38) | — | |
| SCHEMBL11555320 | 0.67 | — | — | |
| Bromide SCHEMBL28148436 | 0.67 | — | — | |
| SCHEMBL308837 | 0.65 | — | — | |
| SCHEMBL15087185 | 0.65 | LMNA (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-10028928-A | — | — | None | — | — | JP | disclosed |
| JP-11170433-A | — | — | None | — | — | JP | disclosed |
| JP-H11170433-A | STEEL PLATE COVERED WITH POLYOLEFIN | NKK CORP | 1999-06-29 | — | — | JP | disclosed |
| JP-H1028928-A | POLYOLEFIN COATED STEEL MATERIAL | NKK CORP | 1998-02-03 | — | — | JP | disclosed |