⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5139861 | 0.76 | MAOB (0.32) | — | |
| SCHEMBL6410680 | 0.64 | KDM4E (0.32) | — | |
| SCHEMBL600651 | 0.63 | KDM4E (0.33) | — | |
| SCHEMBL11497032 | 0.62 | — | — | |
| SCHEMBL14304447 | 0.61 | CYP1A2 (0.33) | — | |
| SCHEMBL11269884 | 0.59 | — | — | |
| SCHEMBL10725489 | 0.59 | NQO1 (0.32) | — | |
| SCHEMBL3854899 | 0.59 | NQO1 (0.36) | — | |
| SCHEMBL11256631 | 0.59 | — | — | |
| SCHEMBL3755519 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10179923-B2 | Method for biocatalytically cyclizing geranyllinalool and cyclization products thereby obtained | BASF SE (DE) | 2019-01-15 | — | — | US | disclosed |
| US-20170233780-A1 | METHOD FOR BIOCATALYTICALLY CYCLIZING GERANYLLINALOOL AND CYCLIZATION PRODUCTS THEREBY OBTAINED | BASF SE (DE) | 2017-08-17 | — | — | US | disclosed |