⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5925671 | 0.82 | HPGD (0.33) | — | |
| SCHEMBL8757351 | 0.80 | CES2 (0.34) | — | |
| Tetramethylammonium Ion SCHEMBL1276928 | 0.79 | DNM1 (0.39) | — | |
| SCHEMBL225939 | 0.78 | TSHR (0.38) | — | |
| Lithium Ion SCHEMBL503758 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL7092511 | 0.76 | TSHR (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL9771941 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL5078343 | 0.76 | TSHR (0.37) | — | |
| SCHEMBL8772308 | 0.76 | TSHR (0.37) | — | |
| Cetrimonium SCHEMBL9771951 | 0.74 | DNM1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0690074-B1 | Photopolymerization initiator composition and photopolymerizable composition | TOYO INK MFG CO (JP) | 1998-09-02 | — | — | EP | disclosed |
| US-5654319-A | ANTIPSYCHOTIC AND ANALGESIC AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1997-08-05 | — | — | US | disclosed |
| US-5500453-A | INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS | TOYO INK MANUFACTURING CO., LTD. (JP) | 1996-03-19 | — | — | US | disclosed |