⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5276371 | 0.85 | ALDH1A1 (0.44) | — | |
| SCHEMBL4196105 | 0.78 | — | — | |
| SCHEMBL687481 | 0.76 | — | — | |
| SCHEMBL422868 | 0.76 | — | — | |
| SCHEMBL11656804 | 0.75 | — | — | |
| SCHEMBL165882 | 0.74 | — | — | |
| SCHEMBL29034411 | 0.74 | — | — | |
| SCHEMBL27604296 | 0.72 | ALDH1A1 (0.36) | — | |
| SCHEMBL4964191 | 0.71 | — | — | |
| SCHEMBL1819959 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4112120-A | P-BENZOQUINONEDI-IMIDES | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-09-05 | — | — | US | claimed |
| US-6329545-B1 | SYSTEMIC ADMINISTRATION OF .ALPHA.-((AMINOIMINOMETHYL)HYDRAZONO)-BENZENEPROPANOIC ACID OR ITS HYDROCHLORIDE SALT FOR THERAPY OF DIABETES | LARSEN SCOTT D (US) | 2001-12-11 | — | — | US | disclosed |
| US-4112120-A | P-BENZOQUINONEDI-IMIDES | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1978-09-05 | — | — | US | disclosed |