⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL11742676 | 0.97 | — | — | |
| SCHEMBL3674 | 0.97 | — | — | |
| SCHEMBL29697593 | 0.97 | ALDH1A1 (0.59) | — | |
| SCHEMBL6354425 | 0.93 | — | — | |
| Water SCHEMBL22362220 | 0.93 | — | — | |
| Bicarbonate SCHEMBL895901 | 0.93 | ALDH1A1 (0.56) | — | |
| SCHEMBL16444754 | 0.93 | — | — | |
| Water SCHEMBL21436717 | 0.93 | ALDH1A1 (0.56) | — | |
| SCHEMBL5433556 | 0.93 | — | — | |
| SCHEMBL2527643 | 0.93 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3875541-A1 | COMPOSITION AND METHOD FOR PRODUCING SILICONE MASSES AND USE THEREOF | PolyU GmbH (DE) | 2021-09-08 | — | — | EP | disclosed |
| EP-3192772-A1 | PROCESS FOR THE PREPARATION OF CARBONATE CONTAINING METAL OXIDES-HYDROXIDES BY EMPLOYING METAL ALKOXIDE SOLUTIONS CONTAINING METAL ALKYL CARBONATE GROUPS | BASF SE (DE) | 2017-07-19 | — | — | EP | disclosed |
| CN-102241972-B | Fluorescent material with purple luminescence property and preparation method thereof | UNIV NINGBO | 2013-11-13 | — | — | CN | disclosed |
| CN-102241972-A | Fluorescent material with purple luminescence property and preparation method thereof | UNIV NINGBO | 2011-11-16 | — | — | CN | disclosed |
| US-6649585-B1 | Reacting basic zinc carbonate and carboxylic acids; stabili-zing halogen containing plastic material against thermal and/or photochemical degradation | COGNIS DEUTSCHLAND GMBH & CO. KG (DE) | 2003-11-18 | — | — | US | disclosed |