⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5052667 | 0.72 | CYP3A4 (0.33) | — | |
| SCHEMBL5597108 | 0.72 | CYP3A4 (0.34) | — | |
| SCHEMBL21117 | 0.70 | MEN1 (0.30) | — | |
| SCHEMBL2459722 | 0.70 | — | — | |
| SCHEMBL4077895 | 0.67 | — | — | |
| SCHEMBL9292949 | 0.67 | CYP2C19 (0.35) | — | |
| SCHEMBL11328245 | 0.65 | CLCN2 (0.33) | — | |
| SCHEMBL329566 | 0.64 | THRB (0.33) | — | |
| SCHEMBL9404584 | 0.64 | CA2 (0.45) | — | |
| SCHEMBL16703772 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-RE30676-E | POLYETHERPOLYOL OR POLYESTERPOLYOL, AMINE | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 1981-07-14 | — | — | US | disclosed |
| US-4113667-A | SPECIFIC AMINES | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) | 1978-09-12 | — | — | US | disclosed |
| US-4088614-A | POLYETHERPOLYOL, POLYESTERPOLYOL, POLYISOCYANATE, WATER, FOAMING AGENT, EMULSIFYING AGENT | DAI-ICHI KOGYO SEIYAKU CO., LTD. (JA) | 1978-05-09 | — | — | US | disclosed |