⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2422140 | 0.73 | — | — | |
| SCHEMBL6929495 | 0.73 | CA1 (0.32) | — | |
| SCHEMBL8441561 | 0.69 | CA1 (0.33) | — | |
| SCHEMBL2097461 | 0.69 | CA1 (0.33) | — | |
| SCHEMBL17513009 | 0.69 | CA1 (0.35) | — | |
| SCHEMBL19360695 | 0.69 | — | — | |
| SCHEMBL15721265 | 0.67 | OPRM1 (0.31) | — | |
| SCHEMBL9691585 | 0.67 | — | — | |
| SCHEMBL9338977 | 0.67 | — | — | |
| SCHEMBL10726573 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102924675-B | Reduce the method for the aldehyde in amine | HUNTSMAN SPEC CHEM CORP. (US) | 2015-07-29 | — | — | CN | claimed |
| CN-102924675-B | Reduce the method for the aldehyde in amine | HUNTSMAN SPEC CHEM CORP. (US) | 2015-07-29 | — | — | CN | disclosed |