⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL700472 | 0.85 | TSHR (0.39) | — | |
| SCHEMBL28868509 | 0.84 | CA1 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL15061379 | 0.82 | TSHR (0.37) | — | |
| Methoxymethane SCHEMBL28246973 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL429966 | 0.76 | — | — | |
| SCHEMBL11694067 | 0.76 | — | — | |
| SCHEMBL9128124 | 0.76 | — | — | |
| SCHEMBL17443155 | 0.76 | CA1 (0.36) | — | |
| SCHEMBL922332 | 0.74 | CA2 (0.30) | — | |
| SCHEMBL27839069 | 0.74 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9795917-B2 | Method for removing SOx from gas with modified polyethylene glycol | BEIJING BOYUAN HENGSHENG HIGH-TECHNOLOGY CO., LTD (CN) | 2017-10-24 | — | — | US | disclosed |
| US-20160220946-A1 | Method for Removing SOx from Gas with Modified Polyethylene Glycol | PEKING UNIVERSITY (CN) | 2016-08-04 | — | — | US | disclosed |
| US-4183039-A | Light emitting semiconductor device | HITACHI, LTD. (JP) | 1980-01-08 | — | — | US | disclosed |