⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL27516660 | 0.99 | — | — | |
| SCHEMBL29145259 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL27427900 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL28114549 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL3267056 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL250958 | 0.74 | HTR6 (0.33) | — | |
| SCHEMBL27494214 | 0.73 | — | — | |
| SCHEMBL27973655 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL10915786 | 0.73 | HTR6 (0.33) | — | |
| Water SCHEMBL5493503 | 0.73 | HTR6 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008127036-A2 | PHOTOSENSITIVE RESIN COMPOSITION COMPRISING A POLYMER PREPARED BY USING MACROMONOMER AS ALKALI SOLUBLE RESIN | LG CHEM, LTD. (KR) | 2008-10-23 | — | — | WO | disclosed |
| CN-1342157-A | Substituted pyrazoles ASP38 kinase inhibitors | SEARLE & CO (US) | 2002-03-27 | — | — | CN | disclosed |
| CN-1264377-A | Substituted pyrazoles as P38 kinase inhabitors | SEARLE & CO (US) | 2000-08-23 | — | — | CN | disclosed |