⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4375985 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL4136640 | 0.72 | — | — | |
| SCHEMBL6542291 | 0.69 | — | — | |
| SCHEMBL9301770 | 0.69 | — | — | |
| SCHEMBL4851135 | 0.67 | — | — | |
| SCHEMBL15321068 | 0.67 | — | — | |
| SCHEMBL3128022 | 0.67 | — | — | |
| SCHEMBL28417408 | 0.67 | — | — | |
| SCHEMBL10586174 | 0.67 | — | — | |
| SCHEMBL2193982 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4179435-A | SULPHONIC ACID-FREE | CIBA-GEIGY CORPORATION (US) | 1979-12-18 | — | — | US | disclosed |
| US-4115381-A | FOR POLYESTER FIBERS | CIBA-GEIGY CORPORATION (US) | 1978-09-19 | — | — | US | disclosed |