⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL633600 | 0.73 | — | — | |
| SCHEMBL9179751 | 0.71 | — | — | |
| SCHEMBL4650659 | 0.71 | — | — | |
| SCHEMBL150152 | 0.67 | — | — | |
| SCHEMBL9065987 | 0.67 | — | — | |
| SCHEMBL2569408 | 0.62 | CA5A (0.42) | — | |
| SCHEMBL7797609 | 0.62 | — | — | |
| SCHEMBL2293572 | 0.62 | — | — | |
| SCHEMBL10337276 | 0.60 | — | — | |
| Ethylene SCHEMBL16756645 | 0.60 | CA5A (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2273618-A | — | — | None | — | — | JP | disclosed |
| JP-7126124-A | — | — | None | — | — | JP | disclosed |
| JP-2001019516-A | CEMENT ADMIXTURE AND CEMENT COMPOSITION | DENKI KAGAKU KOGYO KK | 2001-01-23 | — | — | JP | disclosed |
| JP-H07126124-A | SKIN-CLEANSING AGENT | SHISEIDO CO LTD | 1995-05-16 | — | — | JP | disclosed |
| JP-H02273618-A | DETERGENT COMPOSITION | SHISEIDO CO LTD | 1990-11-08 | — | — | JP | disclosed |