⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12964746 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL15445237 | 0.74 | TSHR (0.34) | — | |
| SCHEMBL15445235 | 0.72 | CYP11B1 (0.31) | — | |
| SCHEMBL15445236 | 0.72 | CXCR3 (0.39) | — | |
| SCHEMBL11194228 | 0.71 | ALOX15 (0.36) | — | |
| SCHEMBL18503902 | 0.68 | NLRP3 (0.32) | — | |
| SCHEMBL17204821 | 0.68 | — | — | |
| SCHEMBL17213193 | 0.68 | — | — | |
| SCHEMBL15451189 | 0.64 | — | — | |
| SCHEMBL15445239 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4173543-A | COPPER OR ZINC CYSTINE | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-11-06 | — | — | US | disclosed |
| US-4173711-A | ORGANOLEPTIC | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-11-06 | — | — | US | disclosed |
| US-4169073-A | 3(2-Chloroalkyloxy)2 (10)-pinene perfumes compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-09-25 | — | — | US | disclosed |
| US-4163068-A | Flavoring with terpenyl ethers | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-07-31 | — | — | US | disclosed |
| US-4131687-A | Flavoring with terpenyl ethers | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-12-26 | — | — | US | disclosed |