⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2877856 | 0.72 | — | — | |
| SCHEMBL15285328 | 0.67 | — | — | |
| SCHEMBL1006732 | 0.64 | — | — | |
| SCHEMBL30853512 | 0.64 | TDP1 (0.61) | — | |
| SCHEMBL479477 | 0.56 | — | — | |
| SCHEMBL980789 | 0.55 | — | — | |
| SCHEMBL19160171 | 0.55 | — | — | |
| SCHEMBL595580 | 0.55 | — | — | |
| SCHEMBL133670 | 0.55 | — | — | |
| SCHEMBL6665571 | 0.55 | CYP2A6 (0.38) | — |
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-0315899-B1 | THIEN-3-YL AZO DYES | BASF Aktiengesellschaft (DE) | 1993-04-07 | — | — | EP | claimed |
| US-4994564-A | Dyeing synthetic fibers in shades of red, yellow | BASF AKTIENGESELLSCHAFT (DE) | 1991-02-19 | — | — | US | claimed |
| US-4994564-A | Dyeing synthetic fibers in shades of red, yellow | BASF AKTIENGESELLSCHAFT (DE) | 1991-02-19 | — | — | US | disclosed |
| US-4994564-A | Dyeing synthetic fibers in shades of red, yellow | BASF AKTIENGESELLSCHAFT (DE) | 1991-02-19 | — | — | US | disclosed |
| US-4711954-A | FOR POLYAMIDES; COLORFASTNESS | BAYER AKTIENGESELLSCHAFT (DE) | 1987-12-08 | — | — | US | disclosed |