⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6891271 | 0.69 | CYP19A1 (0.35) | — | |
| SCHEMBL11251629 | 0.67 | CHRNB2 (0.33) | — | |
| SCHEMBL5509779 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL11341018 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL10734823 | 0.65 | SLC6A4 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL8107688 | 0.64 | — | — | |
| SCHEMBL31342788 | 0.63 | — | — | |
| SCHEMBL13561709 | 0.62 | TRPA1 (0.32) | — | |
| SCHEMBL17476386 | 0.62 | CHRNB2 (0.33) | — | |
| SCHEMBL17715362 | 0.62 | CHRNB2 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110621493-A | Hard coat film and image display device including the same | 东友精细化工有限公司 | 2019-12-27 | — | — | CN | disclosed |
| CN-103228704-A | Polyimide precursor, polyimide, and material for use in preparation thereof | UBE INDUSTRIES | 2013-07-31 | — | — | CN | disclosed |
| CN-101155776-B | Process for producing tricarboxylic acid tri (alkyl-substituted cyclohexanamide) | NEW JAPAN CHEM CO LTD | 2011-05-04 | — | — | CN | disclosed |
| CN-101155776-A | Process for producing tricarboxylic acid tri (alkyl-substituted cyclohexanamide) | NEW JAPAN CHEM CO LTD (JP) | 2008-04-02 | — | — | CN | disclosed |
| CN-1189831-A | Imidazopyridine derivatives | BRITISH BIOTECH PHARM (GB) | 1998-08-05 | — | — | CN | disclosed |
| CN-1069976-A | Hexanaphthene and tetrahydropyran derivatives | HOFFMANN LA ROCHE (CH) | 1993-03-17 | — | — | CN | disclosed |