⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194176 | 1.00 | — | — | |
| SCHEMBL5157622 | 1.00 | — | — | |
| SCHEMBL1942978 | 0.82 | — | — | |
| SCHEMBL3706986 | 0.80 | — | — | |
| SCHEMBL7519669 | 0.79 | TDP1 (0.56) | — | |
| SCHEMBL7519675 | 0.79 | TDP1 (0.56) | — | |
| SCHEMBL7524618 | 0.79 | TDP1 (0.56) | — | |
| SCHEMBL6703853 | 0.79 | — | — | |
| SCHEMBL7524577 | 0.79 | TDP1 (0.56) | — | |
| SCHEMBL1983137 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1136061-B1 | Optically active, oxygenated, alicyclic compounds and their use as perfuming ingredients | FIRMENICH & CIE (CH) | 2007-01-03 | — | — | EP | disclosed |
| US-20010031710-A1 | Optically active, oxygenated, alicyclic compounds and their use as perfuming ingredients | FIRMENICH SA (CH) | 2001-10-18 | — | — | US | disclosed |
| EP-1136061-A2 | Optically active, oxygenated, alicyclic compounds and their use as perfuming ingredients | FIRMENICH SA (CH) | 2001-09-26 | — | — | EP | disclosed |
| US-5486310-A | Liquid crystalline mixtures having a chiral tilted smectic phase | HOFFMANN-LA ROCHE INC. (US) | 1996-01-23 | — | — | US | disclosed |
| EP-0339414-B1 | Optically active diester | HOFFMANN LA ROCHE (CH) | 1993-12-01 | — | — | EP | disclosed |
| US-5242619-A | Liquid crystalline mixtures having a chiral tilted smectic phase | HOFFMANN-LA ROCHE INC. (US) | 1993-09-07 | — | — | US | disclosed |
| EP-0339414-A2 | Optically active diester | F. HOFFMANN-LA ROCHE AG (CH) | 1989-11-02 | — | — | EP | disclosed |