⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2786611 | 0.84 | HSD11B1 (0.30) | — | |
| SCHEMBL3151334 | 0.76 | — | — | |
| SCHEMBL9238242 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL2686552 | 0.68 | — | — | |
| SCHEMBL10538136 | 0.68 | — | — | |
| SCHEMBL23308952 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL28655951 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL1237248 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL666415 | 0.67 | HSD17B10 (0.32) | — | |
| SCHEMBL10248853 | 0.64 | ALDH1A1 (0.48) | — |
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-4925992-A | VAPOR PHASE SOLDERING FLUID | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1990-05-15 | — | — | US | disclosed |
| US-4901910-A | FOR HEATING AND MELTING | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1990-02-20 | — | — | US | disclosed |
| US-4873315-A | OF DECAHYDRONAPHTHALENE; ELECTRONICS, SYNTHETIC BLOOD, DIAGNOS TIC FLUIDS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-10-10 | — | — | US | disclosed |
| EP-0304808-A1 | Perfluorinated propyl derivative compounds | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1989-03-01 | — | — | EP | disclosed |