⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3718658 | 0.83 | — | — | |
| SCHEMBL4977045 | 0.72 | — | — | |
| SCHEMBL3074913 | 0.70 | ALDH1A1 (0.35) | — | |
| SCHEMBL4797321 | 0.69 | — | — | |
| SCHEMBL11548249 | 0.69 | — | — | |
| SCHEMBL5748350 | 0.63 | SMPD1 (0.42) | — | |
| SCHEMBL8743581 | 0.63 | CYP4F2 (0.31) | — | |
| SCHEMBL3361635 | 0.63 | CYP2D6 (0.33) | — | |
| SCHEMBL5831112 | 0.62 | — | — | |
| SCHEMBL24931887 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023117980-A1 | ENVIRONMENTAL ATTRIBUTES FOR PLASTIC ADDITIVES | BASF SE (DE) | 2023-06-29 | — | — | WO | disclosed |
| WO-2010133570-A1 | GUANIDINE PHENYLPHOSPHINATE FLAME RETARDANT COMPOSITIONS | BASF SE (DE) | 2010-11-25 | — | — | WO | disclosed |
| US-4246206-A | Process for the preparation of N,N-bis-(2-hydroxyalkyl)-aminomethane phosphonic acid dimethyl ester | BAYER AKTIENGESELLSCHAFT (DE) | 1981-01-20 | — | — | US | disclosed |