⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23867672 | 0.88 | — | — | |
| SCHEMBL22402726 | 0.82 | HPGD (0.35) | — | |
| SCHEMBL22402720 | 0.82 | — | — | |
| SCHEMBL28184795 | 0.80 | NOS3 (0.31) | — | |
| SCHEMBL28975701 | 0.79 | — | — | |
| SCHEMBL12658943 | 0.79 | — | — | |
| SCHEMBL29057400 | 0.79 | HPGD (0.35) | — | |
| SCHEMBL22402721 | 0.78 | — | — | |
| SCHEMBL23867674 | 0.76 | — | — | |
| SCHEMBL3179716 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4448935-A | CHLORO, BROMO OR HYDROXY AROMATIC CROSSLINKING AGENTS | NATIONAL STARCH AND CHEMICAL CORPORATION (US) | 1984-05-15 | — | — | US | claimed |
| US-4248976-A | COMPRISING A PHOSPHORUS COMPOUND AND AN AROMATIC COMPOUND | CIBA-GEIGY AG (CH) | 1981-02-03 | — | — | US | disclosed |
| US-4172858-A | Flame-resistant polymer compositions | CIBA-GEIGY AG (CH) | 1979-10-30 | — | — | US | disclosed |
| US-4163731-A | HYDRAULIC FLUIDS | CIBA-GEIGY AG (CH) | 1979-08-07 | — | — | US | disclosed |