⚠ 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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL27740726 | 0.95 | — | — | |
| Methyl Alcohol SCHEMBL27848048 | 0.87 | ESR1 (0.44) | — | |
| Tannin Pyrogallol SCHEMBL27842912 | 0.83 | ALDH1A1 (0.69) | — | |
| Methyl Alcohol SCHEMBL27650985 | 0.83 | ESR1 (0.41) | — | |
| Ethane SCHEMBL28415154 | 0.82 | — | — | |
| SCHEMBL30589936 | 0.82 | ALDH1A1 (0.55) | — | |
| SCHEMBL30135412 | 0.82 | ALDH1A1 (0.55) | — | |
| Methyl Alcohol SCHEMBL28374011 | 0.80 | CYP1A2 (0.61) | — | |
| Methyl Alcohol SCHEMBL28534609 | 0.80 | BCL2L1 (0.55) | — | |
| Ethane SCHEMBL28353493 | 0.78 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102471447-A | Aqueous polyurethane resin dispersion and method for producing same | UBE INDUSTRIES | 2012-05-23 | — | — | CN | disclosed |
| US-6225318-B1 | 4-aminoquinazolone derivatives | PFIZER INC | 2001-05-01 | — | — | US | disclosed |
| EP-0837063-A1 | 4-Aminoquinazoline derivatives | PFIZER INC. (US) | 1998-04-22 | — | — | EP | disclosed |