⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16814565 | 0.82 | — | — | |
| SCHEMBL11342595 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL14872207 | 0.78 | DPP4 (0.34) | — | |
| SCHEMBL18792900 | 0.78 | — | — | |
| SCHEMBL5183618 | 0.77 | — | — | |
| SCHEMBL3812223 | 0.77 | — | — | |
| SCHEMBL27906379 | 0.73 | SLC7A5 (0.35) | — | |
| SCHEMBL28435075 | 0.72 | — | — | |
| SCHEMBL28911243 | 0.72 | — | — | |
| Water SCHEMBL597799 | 0.72 | MCL1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2729510-A1 | PROCESS FOR PRODUCING FLEXIBLE POLYURETHANE FOAM USING NATURAL OIL POLYOLS | Air Products and Chemicals, Inc. (US) | 2014-05-14 | — | — | EP | disclosed |
| EP-2591031-A1 | PROCESS FOR PRODUCING FLEXIBLE POLYURETHANE FOAM | Air Products and Chemicals, Inc. (US) | 2013-05-15 | — | — | EP | disclosed |
| WO-2013006413-A1 | PROCESS FOR PRODUCING FLEXIBLE POLYURETHANE FOAM USING NATURAL OIL POLYOLS | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2013-01-10 | — | — | WO | disclosed |
| WO-2012006539-A1 | PROCESS FOR PRODUCING FLEXIBLE POLYURETHANE FOAM | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2012-01-12 | — | — | WO | disclosed |