⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7940763 | 0.97 | — | — | |
| SCHEMBL13301675 | 0.75 | — | — | |
| SCHEMBL26002462 | 0.75 | MEN1 (0.30) | — | |
| SCHEMBL18556389 | 0.74 | — | — | |
| SCHEMBL5243714 | 0.74 | — | — | |
| SCHEMBL17761843 | 0.74 | — | — | |
| SCHEMBL18463941 | 0.74 | CA1 (0.32) | — | |
| SCHEMBL2596461 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL15471298 | 0.74 | — | — | |
| SCHEMBL23319712 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6248885-B1 | 1. TERT-OCTYLDI-N-PROPLYLAMINE. 2. TERT-OCTYL-N-MORPHOLINE-BORANE. | SIGMA-ALDRICH CO. | 2001-06-19 | — | — | US | disclosed |