⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4046778 | 0.76 | — | — | |
| SCHEMBL11499984 | 0.73 | — | — | |
| SCHEMBL1276009 | 0.72 | — | — | |
| SCHEMBL393555 | 0.72 | — | — | |
| SCHEMBL38127 | 0.72 | — | — | |
| SCHEMBL21998286 | 0.71 | — | — | |
| SCHEMBL16047783 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL23589353 | 0.69 | CYP2D6 (0.33) | — | |
| Hydrochloric Acid SCHEMBL3638346 | 0.69 | — | — | |
| Bromide SCHEMBL15346413 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1296412-C | Water-proof-performance gifting using carboxy-contained polyorganosiloxane | BAYER AG (DE) | 2007-01-24 | — | — | CN | disclosed |
| US-6379751-B1 | FOR PAPER, TEXTILES, LEATHER | BAYER AKTIENGESELLSCHAFT (DE) | 2002-04-30 | — | — | US | disclosed |
| CN-1299840-A | Water-proof-performance gifting using carboxy-contained polyorganosiloxane | BAYER AG (DE) | 2001-06-20 | — | — | CN | disclosed |