⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3033507 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL10431747 | 0.79 | TSHR (0.34) | — | |
| SCHEMBL8529926 | 0.78 | — | — | |
| SCHEMBL2253998 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL28862688 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL7701534 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL8769656 | 0.72 | TDP1 (0.37) | — | |
| SCHEMBL16281634 | 0.72 | TSHR (0.34) | — | |
| SCHEMBL3023337 | 0.70 | ALDH1A1 (0.47) | — | |
| SCHEMBL7151386 | 0.70 | HSD17B10 (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0548715-B1 | Disperse dye mixtures | DYSTAR JAPAN LTD (JP) | 1997-07-23 | — | — | EP | disclosed |
| US-5494493-A | DYEING POLYAMIDE AND POLYESTER FIBERS | DYSTAR JAPAN LTD. (JP) | 1996-02-27 | — | — | US | disclosed |
| EP-0659841-A2 | Disperse dye mixture | DyStar Japan Ltd. (JP) | 1995-06-28 | — | — | EP | disclosed |
| US-5332404-A | Monoazo dyes and fibers with blends | HOECHST MITSUBISHI KASEI CO., LTD. (JP) | 1994-07-26 | — | — | US | disclosed |
| EP-0548715-A1 | Disperse dye mixtures | DyStar Japan Ltd. (JP) | 1993-06-30 | — | — | EP | disclosed |