⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5575868 | 0.67 | CYP3A4 (0.31) | — | |
| SCHEMBL10426165 | 0.65 | — | — | |
| SCHEMBL7921835 | 0.64 | — | — | |
| SCHEMBL5822276 | 0.63 | — | — | |
| SCHEMBL4431394 | 0.62 | — | — | |
| SCHEMBL11215519 | 0.61 | — | — | |
| SCHEMBL29283440 | 0.60 | MAPT (0.33) | — | |
| SCHEMBL1962852 | 0.58 | — | — | |
| SCHEMBL9640307 | 0.58 | — | — | |
| SCHEMBL9751087 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0616609-B1 | NITROANILINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS | CANCER RES CAMPAIGN TECH (GB) | 1997-06-18 | — | — | EP | disclosed |
| US-5571845-A | Nitroaniline derivatives and their use as anti-tumour agents | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1996-11-05 | — | — | US | disclosed |
| WO-1993011099-A1 | NITROANILINE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1993-06-10 | — | — | WO | disclosed |