⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9292117 | 0.92 | ESR1 (0.38) | — | |
| SCHEMBL705667 | 0.90 | ALDH1A1 (0.36) | — | |
| SCHEMBL10318044 | 0.89 | CYP1A2 (0.46) | — | |
| SCHEMBL10318540 | 0.81 | NR1H2 (0.41) | — | |
| SCHEMBL30965311 | 0.81 | ESR1 (0.44) | — | |
| SCHEMBL7913246 | 0.79 | LMNA (0.47) | — | |
| SCHEMBL80628 | 0.79 | ACHE (0.47) | — | |
| SCHEMBL10317698 | 0.77 | CYP2A6 (0.44) | — | |
| SCHEMBL7636718 | 0.77 | IDO1 (0.41) | — | |
| SCHEMBL1599765 | 0.77 | ACHE (0.41) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5318848-A | Surface modified with a multi-legged silane-coupling agent | SHISEIDO COMPANY LTD. (JP) | 1994-06-07 | — | — | US | claimed |
| EP-0470255-B1 | CHROMATOGRAPHIC PACKING AND PREPARATION THEREOF | SHISEIDO CO LTD (JP) | 1994-06-01 | — | — | EP | claimed |
| EP-0470255-A1 | CHROMATOGRAPHIC PACKING AND PREPARATION THEREOF | SHISEIDO COMPANY LIMITED (JP) | 1992-02-12 | — | — | EP | claimed |
| US-20120071615-A1 | Bi-Nuclear Metallocene Compound and the Preparation Method of Polyolefin Using the Same | LG CHEM, LTD. (KR) | 2012-03-22 | — | — | US | disclosed |
| US-5318848-A | Surface modified with a multi-legged silane-coupling agent | SHISEIDO COMPANY LTD. (JP) | 1994-06-07 | — | — | US | disclosed |
| EP-0470255-B1 | CHROMATOGRAPHIC PACKING AND PREPARATION THEREOF | SHISEIDO CO LTD (JP) | 1994-06-01 | — | — | EP | disclosed |
| EP-0470255-A1 | CHROMATOGRAPHIC PACKING AND PREPARATION THEREOF | SHISEIDO COMPANY LIMITED (JP) | 1992-02-12 | — | — | EP | disclosed |