⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL138475 | 0.85 | HCAR2 (0.48) | — | |
| SCHEMBL414106 | 0.83 | — | — | |
| Water SCHEMBL27557216 | 0.82 | HCAR2 (0.46) | — | |
| SCHEMBL27754652 | 0.82 | GAA (0.44) | — | |
| Hydrochloric Acid SCHEMBL10891263 | 0.81 | HCAR2 (0.46) | — | |
| SCHEMBL16045173 | 0.80 | HCAR2 (0.44) | — | |
| SCHEMBL11508709 | 0.80 | GAA (0.46) | — | |
| Hydrazine SCHEMBL1777796 | 0.79 | HCAR2 (0.45) | — | |
| SCHEMBL45789 | 0.79 | — | — | |
| SCHEMBL10441988 | 0.79 | HCAR2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0846747-A1 | Process for preparation and use of gels as additives for mechanical shield driving | WOLFF WALSRODE AG (DE) | 1998-06-10 | — | — | EP | disclosed |
| US-5324776-A | Process for the preparation of polymers containing amino groups | WOLFF WALSRODE AG (DE) | 1994-06-28 | — | — | US | disclosed |