⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21859048 | 0.74 | — | — | |
| SCHEMBL2385718 | 0.73 | HTR1A (0.30) | — | |
| SCHEMBL20608598 | 0.73 | HTR1A (0.30) | — | |
| SCHEMBL1956522 | 0.73 | HTR1A (0.30) | — | |
| SCHEMBL13255130 | 0.73 | HTR1A (0.30) | — | |
| SCHEMBL1634176 | 0.70 | — | — | |
| SCHEMBL29597531 | 0.70 | — | — | |
| SCHEMBL1668449 | 0.70 | — | — | |
| SCHEMBL502026 | 0.68 | — | — | |
| SCHEMBL5404903 | 0.68 | SGMS1 (0.30) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9834738-B2 | Octahydro-1H-4,7-methano-indene-5-aldehydes and their use in perfume compositions | INTERNATIONAL FLAVORS AND FRAGRANCES INC. | 2017-12-05 | — | — | US | disclosed |
| EP-2589649-B1 | Octahydro-1H-4,7-methano-indene-5-aldehydes and their use in perfume compositions | INT FLAVORS & FRAGRANCES INC (US) | 2015-11-25 | — | — | EP | disclosed |
| US-20140107220-A1 | OCTAHYDRO-1H-4,7-METHANO-INDENE-5-ALDEHYDES AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2014-04-17 | — | — | US | disclosed |
| US-20140107221-A1 | OCTAHYDRO-1H-4,7-METHANO-INDENE-5-ALDEHYDES AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2014-04-17 | — | — | US | disclosed |
| US-8633144-B2 | Octahydro-1H-4,7-methano-indene-5-aldehydes and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2014-01-21 | — | — | US | disclosed |
| EP-2589649-A1 | Octahydro-1H-4,7-methano-indene-5-aldehydes and their use in perfume compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2013-05-08 | — | — | EP | disclosed |
| US-20130109761-A1 | OCTAHYDRO-1H-4,7-METHANO-INDENE-5-ALDEHYDES AND THEIR USE IN PERFUME COMPOSITIONS | INTERNATIONAL FLAVORS & FRAGRANCES INC. | 2013-05-02 | — | — | US | disclosed |