⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4150591 | 0.71 | NOS3 (0.40) | — | |
| SCHEMBL14868284 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL1937317 | 0.65 | GRIN2D (0.32) | — | |
| SCHEMBL26256438 | 0.63 | — | — | |
| SCHEMBL17853336 | 0.63 | — | — | |
| SCHEMBL4108144 | 0.62 | — | — | |
| SCHEMBL16791182 | 0.60 | — | — | |
| SCHEMBL22451059 | 0.60 | FDPS (0.35) | — | |
| SCHEMBL19034575 | 0.60 | — | — | |
| SCHEMBL1106408 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090194124-A1 | Hair Shaping Kit and Process Comprising at Least One Non-Hydroxide Imine | MALLE GERARD | 2009-08-06 | — | — | US | disclosed |