⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10779839 | 0.86 | — | — | |
| SCHEMBL11437212 | 0.86 | ALDH1A1 (0.37) | — | |
| SCHEMBL9181169 | 0.84 | — | — | |
| SCHEMBL15303937 | 0.84 | GAA (0.41) | — | |
| SCHEMBL9773443 | 0.80 | KEAP1 (0.32) | — | |
| SCHEMBL2794248 | 0.80 | KEAP1 (0.32) | — | |
| SCHEMBL30902299 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL2794255 | 0.80 | KEAP1 (0.32) | — | |
| SCHEMBL17583949 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL17583944 | 0.77 | ELANE (0.40) | — |
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-8120117-A | — | — | None | — | — | JP | disclosed |
| JP-8119902-A | — | — | None | — | — | JP | disclosed |
| JP-H08119902-A | TRIBROMONEOPENTYL ALCOHOL DERIVATIVE | DAI ICHI KOGYO SEIYAKU CO LTD | 1996-05-14 | — | — | JP | disclosed |
| JP-H08120117-A | FLAME-RETARDANT THERMOPLASTIC RESIN COMPOSITION | DAI ICHI KOGYO SEIYAKU CO LTD | 1996-05-14 | — | — | JP | disclosed |