⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL250650 | 0.97 | — | — | |
| SCHEMBL14847296 | 0.90 | — | — | |
| SCHEMBL17668975 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL17669077 | 0.74 | — | — | |
| SCHEMBL17668977 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL17668976 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL11668754 | 0.73 | — | — | |
| SCHEMBL17669031 | 0.73 | — | — | |
| SCHEMBL17668929 | 0.73 | — | — | |
| SCHEMBL17669140 | 0.72 | CYP2D6 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1036226-B1 | FIBERS OF POLYDIORGANOSILOXANE POLYUREA COPOLYMERS | MINNESOTA MINING & MFG (US) | 2003-03-26 | — | — | EP | disclosed |
| US-6007914-A | MICROFIBERS FOR NONWOVEN WEBS AND ADHESIVE ARTICLES SUCH AS ADHESIVE TAPES | 3M INNOVATIVE PROPERTIES COMPANY (US) | 1999-12-28 | — | — | US | disclosed |