⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55981 | 1.00 | — | — | |
| SCHEMBL32675971 | 0.97 | LMNA (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL8076675 | 0.97 | TSHR (0.48) | — | |
| SCHEMBL1357448 | 0.97 | ACE2 (0.48) | — | |
| SCHEMBL56652 | 0.93 | LMNA (0.50) | — | |
| SCHEMBL17681483 | 0.91 | TSHR (0.43) | — | |
| SCHEMBL19256855 | 0.90 | ACE2 (0.54) | — | |
| SCHEMBL323637 | 0.90 | ACE2 (0.54) | — | |
| SCHEMBL31521551 | 0.90 | LMNA (0.56) | — | |
| Ammonia Solution, Strong SCHEMBL524060 | 0.90 | LMNA (0.47) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101274891-B | S-4- methyloctane derivate, synthetic method thereof and application thereof to (S)-3-methyl-heptanoate sythesis | SHANGHAI INST ORGANIC CHEM | 2011-05-11 | — | — | CN | claimed |
| CN-101274891-A | S-4- methyloctane derivate, synthetic method thereof and application thereof to (S)-3-methyl-heptanoate sythesis | SHANGHAI INST ORGANIC CHEM (CN) | 2008-10-01 | — | — | CN | claimed |
| CN-101544540-B | (R) -2-methyl-5, 5-diphenyl-4-pentene-1-ol derivatives | SHANGHAI INST ORGANIC CHEM | 2012-05-23 | — | — | CN | disclosed |
| CN-101274891-B | S-4- methyloctane derivate, synthetic method thereof and application thereof to (S)-3-methyl-heptanoate sythesis | SHANGHAI INST ORGANIC CHEM | 2011-05-11 | — | — | CN | disclosed |
| CN-101274891-B | S-4- methyloctane derivate, synthetic method thereof and application thereof to (S)-3-methyl-heptanoate sythesis | SHANGHAI INST ORGANIC CHEM | 2011-05-11 | — | — | CN | disclosed |
| CN-101544540-A | (R)-2-methyl-5,5-diphenyl-4-amylene-1-ol derivatives | SHANGHAI INST ORGANIC CHEM | 2009-09-30 | — | — | CN | disclosed |
| CN-101274891-A | S-4- methyloctane derivate, synthetic method thereof and application thereof to (S)-3-methyl-heptanoate sythesis | SHANGHAI INST ORGANIC CHEM (CN) | 2008-10-01 | — | — | CN | disclosed |
| CN-101274891-A | S-4- methyloctane derivate, synthetic method thereof and application thereof to (S)-3-methyl-heptanoate sythesis | SHANGHAI INST ORGANIC CHEM (CN) | 2008-10-01 | — | — | CN | disclosed |