⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL8950695 | 0.75 | KLF10 (0.32) | — | |
| SCHEMBL33426 | 0.75 | ALDH1A1 (0.35) | — | |
| Ammonia Solution, Strong SCHEMBL9788976 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL572460 | 0.68 | — | — | |
| Phenol SCHEMBL10456859 | 0.67 | TDP1 (0.39) | — | |
| Piperazine SCHEMBL10545719 | 0.67 | — | — | |
| SCHEMBL5235261 | 0.61 | ADH1C (0.36) | — | |
| SCHEMBL2173229 | 0.60 | ALDH1A1 (0.46) | — | |
| SCHEMBL11352199 | 0.57 | TYR (0.53) | — | |
| SCHEMBL11322214 | 0.56 | ESR1 (0.39) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2744839-B1 | METHOD FOR MANUFACTURING A POLYURETHANE POLYISOCYANURATE RIGID FOAM | COVESTRO DEUTSCHLAND AG (DE) | 2016-02-24 | — | — | EP | claimed |
| EP-2744839-A1 | PROCESS FOR PRODUCING A RIGID POLYURETHANE-POLYISOCYANURATE FOAM | Bayer Intellectual Property GmbH (DE) | 2014-06-25 | — | — | EP | claimed |
| WO-2013024107-A1 | PROCESS FOR PRODUCING A RIGID POLYURETHANE-POLYISOCYANURATE FOAM | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-02-21 | — | — | WO | claimed |
| EP-2744839-B1 | METHOD FOR MANUFACTURING A POLYURETHANE POLYISOCYANURATE RIGID FOAM | COVESTRO DEUTSCHLAND AG (DE) | 2016-02-24 | — | — | EP | disclosed |
| EP-2744839-A1 | PROCESS FOR PRODUCING A RIGID POLYURETHANE-POLYISOCYANURATE FOAM | Bayer Intellectual Property GmbH (DE) | 2014-06-25 | — | — | EP | disclosed |
| WO-2013024107-A1 | PROCESS FOR PRODUCING A RIGID POLYURETHANE-POLYISOCYANURATE FOAM | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2013-02-21 | — | — | WO | disclosed |