⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL9062214 | 0.98 | — | — | |
| SCHEMBL28081370 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL477713 | 0.72 | — | — | |
| SCHEMBL9501174 | 0.71 | — | — | |
| SCHEMBL6154537 | 0.69 | — | — | |
| SCHEMBL5011913 | 0.68 | — | — | |
| SCHEMBL25242363 | 0.63 | — | — | |
| SCHEMBL8763016 | 0.63 | — | — | |
| SCHEMBL6255096 | 0.63 | — | — | |
| SCHEMBL3927353 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1990001058-A1 | METHOD FOR IMPROVED SOMATIC EMBRYOGENESIS USING SYNTHETIC AUXIN ANALOGS | PLANT GENETICS, INC. (US) | 1990-02-08 | — | — | WO | disclosed |
| WO-1990000002-A1 | METHOD FOR MATURING SOMATIC EMBRYOS FOR PLANTING IN NATURAL ENVIRONMENTS | PLANT GENETICS, INC. (US) | 1990-01-11 | — | — | WO | disclosed |