⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4072490 | 0.62 | — | — | |
| SCHEMBL4096257 | 0.60 | — | — | |
| SCHEMBL2796481 | 0.60 | — | — | |
| SCHEMBL11945 | 0.60 | — | — | |
| SCHEMBL5632545 | 0.58 | — | — | |
| SCHEMBL1723555 | 0.58 | — | — | |
| SCHEMBL6744894 | 0.58 | — | — | |
| SCHEMBL385743 | 0.58 | — | — | |
| SCHEMBL3414462 | 0.56 | — | — | |
| SCHEMBL5958320 | 0.56 | — | — |
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-5021184-A | Adamantane derivatives, compositions of matter containing same, processes for preparing said adamantane derivatives and said compositions, and organoleptic and deodorancy uses of said adamantane derivatives and said compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1991-06-04 | — | — | US | disclosed |
| US-4956481-A | Perfumes from rearrangements of unsaturated cyclohexylaldehydes | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1990-09-11 | — | — | US | disclosed |