⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8521166 | 1.00 | — | — | |
| SCHEMBL14088370 | 0.82 | — | — | |
| SCHEMBL12744810 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL578065 | 0.69 | — | — | |
| SCHEMBL12744686 | 0.69 | — | — | |
| SCHEMBL11722549 | 0.67 | — | — | |
| SCHEMBL11722542 | 0.67 | — | — | |
| SCHEMBL8521169 | 0.67 | — | — | |
| SCHEMBL112566 | 0.65 | TSHR (0.36) | — | |
| SCHEMBL20008629 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-55133384-A | — | — | None | — | — | JP | disclosed |
| JP-55164684-A | — | — | None | — | — | JP | disclosed |
| EP-0755052-B1 | Optical recording medium | MITSUI CHEMICALS INC (JP) | 1999-11-17 | — | — | EP | disclosed |
| EP-0755052-A2 | Optical recording medium | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1997-01-22 | — | — | EP | disclosed |
| US-4634788-A | REACTION OF CARBOXYLIC ACID WITH OXIME | MONSANTO COMPANY (US) | 1987-01-06 | — | — | US | disclosed |
| JP-S55164684-A | PREPARATION OF RIFAMYCIN DERIVATIVE | KANEGAFUCHI CHEM IND CO LTD | 1980-12-22 | — | — | JP | disclosed |
| JP-S55133384-A | PREPARATION OF RIFAMYCIN DERIVATIVE | KANEGAFUCHI CHEM IND CO LTD | 1980-10-17 | — | — | JP | disclosed |