⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28985945 | 0.81 | — | — | |
| SCHEMBL3411682 | 0.77 | — | — | |
| SCHEMBL18092221 | 0.75 | — | — | |
| SCHEMBL14010086 | 0.73 | GABBR2 (0.38) | — | |
| SCHEMBL1262326 | 0.71 | — | — | |
| SCHEMBL1301652 | 0.71 | — | — | |
| SCHEMBL13455861 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL5770302 | 0.70 | ALOX15 (0.38) | — | |
| SCHEMBL18423971 | 0.70 | GRIK1 (0.36) | — | |
| SCHEMBL1260825 | 0.70 | ALDH1A1 (0.42) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3997610-A | DISTILLATION, METAL BORATE | RHONE-POULENC S.A. (FR) | 1976-12-14 | — | — | US | claimed |
| US-4029709-A | Process for the hydrogenation of citral to citronellal and of citronellal to citronellol using chromium-promoted Raney nickel catalyst | RHODIA, INC. (US) | 1977-06-14 | — | — | US | disclosed |
| US-3997610-A | DISTILLATION, METAL BORATE | RHONE-POULENC S.A. (FR) | 1976-12-14 | — | — | US | disclosed |