⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27329647 | 0.74 | — | — | |
| SCHEMBL43114 | 0.74 | — | — | |
| SCHEMBL4177390 | 0.74 | — | — | |
| SCHEMBL3945142 | 0.73 | — | — | |
| Water SCHEMBL4860475 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL15060108 | 0.71 | — | — | |
| Bromide SCHEMBL2832216 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL2427941 | 0.71 | PYCR1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL30425 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL27945568 | 0.71 | — | — |
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-0715637-B1 | SILICONE GRAFTED THERMOPLASTIC ELASTOMERIC COPOLYMERS AND HAIR AND SKIN CARE COMPOSITIONS CONTAINING THE SAME | PROCTER & GAMBLE (US) | 1999-10-13 | — | — | EP | claimed |
| US-5258357-A | Carboxamides, their preparation and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1993-11-02 | — | — | US | disclosed |