⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20607559 | 0.76 | — | — | |
| SCHEMBL20607558 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL113205 | 0.76 | — | — | |
| SCHEMBL111669 | 0.76 | TSHR (0.34) | — | |
| SCHEMBL23086230 | 0.74 | — | — | |
| SCHEMBL21333566 | 0.73 | — | — | |
| SCHEMBL17907441 | 0.73 | — | — | |
| SCHEMBL16558597 | 0.73 | — | — | |
| SCHEMBL20305153 | 0.73 | — | — | |
| SCHEMBL2710118 | 0.72 | — | — |
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-4174287-A | 2,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-pentanol, perfume compositions, colognes and perfumed articles containing same and process for preparing same | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-11-13 | — | — | US | disclosed |
| US-4170577-A | 2,3-Dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-pentanol perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-10-09 | — | — | US | disclosed |
| US-4149020-A | Intermediate for preparation of 2,3-dimethyl-5-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-pentanol | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-04-10 | — | — | US | disclosed |