⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23092034 | 0.84 | ALDH1A1 (0.44) | — | |
| SCHEMBL2275288 | 0.78 | CYP1A2 (0.46) | — | |
| SCHEMBL15200318 | 0.76 | — | — | |
| SCHEMBL22600644 | 0.76 | — | — | |
| SCHEMBL17210453 | 0.76 | — | — | |
| SCHEMBL3153384 | 0.76 | — | — | |
| SCHEMBL3153375 | 0.76 | — | — | |
| SCHEMBL5729318 | 0.75 | FFAR3 (0.35) | — | |
| SCHEMBL4213305 | 0.74 | — | — | |
| SCHEMBL4213300 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106662779-A | Liquid crystal display element | 捷恩智株式会社 | 2017-05-10 | — | — | CN | disclosed |
| CN-104685412-A | Liquid crystal aligning agent, and liquid crystal alignment film produced using same | NISSAN CHEMICAL IND LTD | 2015-06-03 | — | — | CN | disclosed |
| US-4336400-A | BRONCHODILATOR AGENTS, CARDIOVASCULAR STIMULANTS | STERLING DRUG INC. (US) | 1982-06-22 | — | — | US | disclosed |
| US-RE30241-E | BRONCHODILATION, ADRENERGIC STIMULANTS | STERLING DRUG INC. (US) | 1980-03-25 | — | — | US | disclosed |
| US-4138581-A | BRONCHODILATOR AGENTS, ADRENERGIC STIMULANTS | STERLING DRUGS INC. (US) | 1979-02-06 | — | — | US | disclosed |