⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6361248 | 1.00 | — | — | |
| SCHEMBL27896816 | 0.82 | SPHK1 (0.35) | — | |
| SCHEMBL31337500 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL10546368 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL8597199 | 0.67 | SPHK1 (0.38) | — | |
| SCHEMBL28818357 | 0.65 | — | — | |
| SCHEMBL27993318 | 0.64 | SLC1A2 (0.35) | — | |
| SCHEMBL17935752 | 0.64 | TSHR (0.42) | — | |
| SCHEMBL15912049 | 0.64 | TRPV1 (0.42) | — | |
| SCHEMBL15912048 | 0.64 | TRPV1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0471683-A4 | BIS-(PYRROLIDONYL ALKYLENE) BIGUANIDES | — | 1992-04-22 | — | — | EP | disclosed |
| EP-0471683-A1 | BIS-(PYRROLIDONYL ALKYLENE) BIGUANIDES | GAF CHEMICALS CORPORATION (US) | 1992-02-26 | — | — | EP | disclosed |
| WO-1990013536-A1 | BIS-(PYRROLIDONYL ALKYLENE) BIGUANIDES | GAF CHEMICALS CORPORATION (US) | 1990-11-15 | — | — | WO | disclosed |
| US-4952704-A | WATER SOLUBLE MICROBIOCIDES; NONTOXIC, COMPATIBLE WITH SURFACTANTS | GAF CHEMICALS CORPORATION (US) | 1990-08-28 | — | — | US | disclosed |