⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8948818 | 0.83 | SMN1; SMN2 (0.46) | — | |
| Styrene SCHEMBL18130189 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL8948858 | 0.79 | CA4 (0.50) | — | |
| SCHEMBL28038023 | 0.78 | RECQL (0.39) | — | |
| SCHEMBL9752586 | 0.77 | OR51E2 (0.40) | — | |
| SCHEMBL28149496 | 0.77 | — | — | |
| SCHEMBL9767678 | 0.73 | MMP1 (0.42) | — | |
| SCHEMBL988010 | 0.71 | CA2 (0.35) | — | |
| SCHEMBL2215432 | 0.70 | GRIK1 (0.33) | — | |
| SCHEMBL27800171 | 0.69 | CA2 (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 |
|---|---|---|---|---|---|---|---|
| CN-109952289-B | TRPV4 antagonists | 葛兰素史密斯克莱知识产权（第2 号）有限公司 | 2022-12-09 | — | — | CN | disclosed |
| US-5488146-A | SULFONATING MALEIC ANHYDRIDE WITH SULFUR TRIOXIDE; ADDING GLYCOLIC ACID; SALT FORMATION WITH ALKALINE EARTH OR ALKALI METAL HYDROXIDE; PRECIPITATING; ION EXCHANGING WITH SODIUM SALT | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1996-01-30 | — | — | US | disclosed |
| EP-0067579-B1 | A PYRIMIDONE SALT AND ITS PREPARATION | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1984-09-12 | — | — | EP | disclosed |