⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27903085 | 0.95 | — | — | |
| SCHEMBL2059977 | 0.95 | — | — | |
| SCHEMBL42320 | 0.95 | — | — | |
| SCHEMBL31306179 | 0.90 | — | — | |
| Water SCHEMBL28327009 | 0.90 | — | — | |
| SCHEMBL27884519 | 0.90 | — | — | |
| Hydrogen Sulfide SCHEMBL1115597 | 0.90 | — | — | |
| Benzene SCHEMBL8014070 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL28959329 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL27279650 | 0.79 | ALDH1A1 (0.44) | — |
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-5548056-A | FOR FIBERGLASS REINFORCED POLYESTER | ASHLAND INC. (US) | 1996-08-20 | — | — | US | disclosed |
| EP-0705287-A1 | POLYUREAURETHANE PRIMERLESS STRUCTURAL ADHESIVE | ASHLAND OIL, INC. (US) | 1996-04-10 | — | — | EP | disclosed |
| EP-0705287-A4 | POLYUREAURETHANE PRIMERLESS STRUCTURAL ADHESIVE | ASHLAND OIL INC (US) | 1995-06-20 | — | — | EP | disclosed |
| WO-1993018074-A1 | POLYUREAURETHANE PRIMERLESS STRUCTURAL ADHESIVE | ASHLAND OIL, INC. (US) | 1993-09-16 | — | — | WO | disclosed |