⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9240998 | 1.00 | — | — | |
| SCHEMBL9240986 | 1.00 | — | — | |
| SCHEMBL10424954 | 0.85 | — | — | |
| SCHEMBL1276250 | 0.82 | CA1 (0.31) | — | |
| SCHEMBL20930152 | 0.82 | CA1 (0.31) | — | |
| SCHEMBL958781 | 0.82 | CA1 (0.31) | — | |
| SCHEMBL4608681 | 0.82 | CA1 (0.31) | — | |
| SCHEMBL20930020 | 0.82 | CA1 (0.31) | — | |
| SCHEMBL958827 | 0.82 | CA1 (0.31) | — | |
| SCHEMBL8204015 | 0.82 | CA1 (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE37159-E1 | Propanol derivatives and perfumes containing the same | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2001-05-01 | — | — | US | disclosed |
| EP-0456932-B1 | Propanol derivatives and perfumes containing the same | TAKASAGO PERFUMERY CO LTD (JP) | 1995-01-18 | — | — | EP | disclosed |
| US-5250512-A | Diffusible, stable amber-like fragrance with high retention | TAKASAGO INTERNATIONAL CORPORATION (JP) | 1993-10-05 | — | — | US | disclosed |
| EP-0456932-A1 | Propanol derivatives and perfumes containing the same | Takasago International Corporation (JP) | 1991-11-21 | — | — | EP | disclosed |