⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30 | 0.94 | — | — | |
| SCHEMBL124190 | 0.94 | — | — | |
| SCHEMBL1736341 | 0.94 | ALDH1A1 (0.40) | — | |
| SCHEMBL3466974 | 0.89 | — | — | |
| Fluoride SCHEMBL22345959 | 0.89 | ALDH1A1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL5047658 | 0.89 | ALDH1A1 (0.36) | — | |
| SCHEMBL1334883 | 0.89 | — | — | |
| Water SCHEMBL20920097 | 0.89 | ALDH1A1 (0.36) | — | |
| Methane SCHEMBL9112044 | 0.89 | — | — | |
| Bromide SCHEMBL328981 | 0.89 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105939993-A | Aryl sulfonic acid compound and use thereof | 日产化学工业株式会社 | 2016-09-14 | — | — | CN | disclosed |
| WO-2002020623-A9 | METHOD FOR PREPARING A DILITHIUM INITIATOR AND ANIONIC POLYMERISATION METHOD | MICHELIN SOC TECH (FR) | 2002-09-19 | — | — | WO | disclosed |
| EP-1237941-A1 | METHOD FOR PREPARING A DILITHIUM INITIATOR AND ANIONIC POLYMERISATION METHOD | Société de Technologie Michelin (FR) | 2002-09-11 | — | — | EP | disclosed |
| WO-2002020623-A1 | METHOD FOR PREPARING A DILITHIUM INITIATOR AND ANIONIC POLYMERISATION METHOD | SOCIETE DE TECHNOLOGIE MICHELIN (FR) | 2002-03-14 | — | — | WO | disclosed |