⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7585185 | 0.67 | — | — | |
| SCHEMBL4371448 | 0.65 | — | — | |
| SCHEMBL892132 | 0.64 | — | — | |
| SCHEMBL771852 | 0.63 | — | — | |
| SCHEMBL28549301 | 0.61 | — | — | |
| SCHEMBL2969444 | 0.61 | — | — | |
| SCHEMBL28307438 | 0.61 | EPHX2 (0.35) | — | |
| SCHEMBL3236547 | 0.61 | — | — | |
| SCHEMBL1614522 | 0.60 | EPHX2 (0.37) | — | |
| SCHEMBL2343747 | 0.60 | EPHX2 (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4990494-A | 1,1-dimethyl-1-nitrilo or hydroxylamino-3-(alkyl phenyl)-substituted propanes, organoleptic uses thereof and processes for preparing same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1991-02-05 | — | — | US | disclosed |
| US-4985402-A | FRAGRANCE FOR DETERGENTS, COSMETICS, BLEACHES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1991-01-15 | — | — | US | disclosed |
| US-4822515-A | Ethyl norbornyl alkyl ethers, organoleptic uses thereof and process for preparing same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1989-04-18 | — | — | US | disclosed |
| US-4822515-A | Ethyl norbornyl alkyl ethers, organoleptic uses thereof and process for preparing same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1989-04-18 | — | — | US | disclosed |
| US-4822515-A | Ethyl norbornyl alkyl ethers, organoleptic uses thereof and process for preparing same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1989-04-18 | — | — | US | disclosed |
| US-4772411-A | ETHYL TRICYCLOHEPTYL ALKYL ETHERS, BLEACHES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1988-09-20 | — | — | US | disclosed |
| US-4772411-A | ETHYL TRICYCLOHEPTYL ALKYL ETHERS, BLEACHES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1988-09-20 | — | — | US | disclosed |
| US-4772411-A | ETHYL TRICYCLOHEPTYL ALKYL ETHERS, BLEACHES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1988-09-20 | — | — | US | disclosed |