⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL867 | 0.93 | — | — | |
| SCHEMBL27326564 | 0.86 | — | — | |
| Water SCHEMBL27550630 | 0.86 | — | — | |
| SCHEMBL20136113 | 0.86 | — | — | |
| Methyl Alcohol SCHEMBL10771823 | 0.80 | — | — | |
| SCHEMBL27401592 | 0.76 | — | — | |
| Trimethylammonium SCHEMBL27648997 | 0.76 | — | — | |
| Aluminum Chloride Anhydrous SCHEMBL28495264 | 0.72 | — | — | |
| SCHEMBL28999719 | 0.71 | — | — | |
| Methoxymethane SCHEMBL6033316 | 0.68 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101189347-A | Reverse probes and their use for nucleic acid detection | ENSEMBLE DISCOVERY CORP (US) | 2008-05-28 | — | — | CN | disclosed |
| CN-1176918-C | Alpha-substituted benzene acetic acid its preparation and farm pesticide containing said compound | ��Ұ����ҩ��ʽ���� | 2004-11-24 | — | — | CN | disclosed |
| CN-1154649-C | Carbapenem-3-carboxylic acid derivatives | ��˹��³�����շҵ��� | 2004-06-23 | — | — | CN | disclosed |
| CN-1105703-C | Alpha-substituted phenylacetic acid derivatives, their preparation and agricultural fungicides containing the same | SHIONOGI & CO (JP) | 2003-04-16 | — | — | CN | disclosed |
| CN-1394846-A | Alpha-substituted benzene acetic acid its preparation and farm pesticide containing said compound | SHIONOGI & CO (JP) | 2003-02-05 | — | — | CN | disclosed |
| CN-1311790-A | Novel C-2S/O-and S/N-formaldehyde acetal derivatives of carbapenem-3-carboxylic acids and their use as antibiotics and beta-lactamase inhibitors | PFAENDLER HANS RUDOLF (DE) | 2001-09-05 | — | — | CN | disclosed |
| CN-1145061-A | Alpha-substituted phenylacetic acid derivatives, their preparation and agricultural fungicides containing the same | SHIONOGI & CO (JP) | 1997-03-12 | — | — | CN | disclosed |