⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL728241 | 0.73 | — | — | |
| SCHEMBL11751603 | 0.73 | — | — | |
| SCHEMBL728264 | 0.73 | — | — | |
| SCHEMBL588572 | 0.71 | — | — | |
| SCHEMBL202989 | 0.67 | — | — | |
| 1,2-Dibromoethane SCHEMBL11415448 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL93926 | 0.67 | — | — | |
| SCHEMBL3376512 | 0.67 | — | — | |
| SCHEMBL7944501 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL2015292 | 0.64 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4055689-A | ORGANIC PHOSPHATE | CIBA-GEIGY CORPORATION (US) | 1977-10-25 | — | — | US | disclosed |
| US-3992560-A | HALOGEN COMPOUNDS | CIBA-GEIGY AG (CH) | 1976-11-16 | — | — | US | disclosed |
| US-3991257-A | ORGANOPHOSPHORUS COMPOUNDS | CIBA-GEIGY AG (CH) | 1976-11-09 | — | — | US | disclosed |
| US-3982053-A | HALOGENATED BENZENE COMPOUND | CIBA-GEIGY AG (CH) | 1976-09-21 | — | — | US | disclosed |
| US-3946092-A | FLAMEPROOFING FOR POLYESTERS AND PLASTICS | CIBA-GEIGY CORPORATION (US) | 1976-03-23 | — | — | US | disclosed |