⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3803518 | 0.87 | — | — | |
| SCHEMBL8368593 | 0.83 | LMNA (0.35) | — | |
| SCHEMBL3649908 | 0.82 | LMNA (0.46) | — | |
| SCHEMBL19784242 | 0.79 | TSHR (0.33) | — | |
| SCHEMBL22842686 | 0.79 | — | — | |
| SCHEMBL5532030 | 0.73 | — | — | |
| SCHEMBL574546 | 0.73 | — | — | |
| SCHEMBL20228966 | 0.73 | — | — | |
| SCHEMBL82624 | 0.71 | — | — | |
| SCHEMBL815037 | 0.71 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108795084-B | A kind of preparation method of phenothiazinyl D-A- π-A type organic dyestuff | 桂林理工大学 | 2019-11-26 | — | — | CN | disclosed |
| CN-108795084-A | A kind of preparation method of phenothiazinyl D-A- π-A type organic dyestuff | 桂林理工大学 | 2018-11-13 | — | — | CN | disclosed |
| CN-104031054-A | Chemokine receptor antagonists and methods of use thereof | MILLENNIUM PHARM INC | 2014-09-10 | — | — | CN | disclosed |
| CN-1585772-B | chemokine receptor antagonists and methods and uses thereof | MILLENNIUM PHARM INC | 2014-06-04 | — | — | CN | disclosed |
| CN-1911930-A | Chemokine receptor anagonists, methods and use therefor | MILLENNIUM PHARM INC (US) | 2007-02-14 | — | — | CN | disclosed |
| CN-1585772-A | Chemokine receptor antagonists and methods and uses thereof | MILLENNIUM PHARM INC (US) | 2005-02-23 | — | — | CN | disclosed |
| EP-0719839-B1 | Phthalocyanine compounds and optical recording media comprising them | MITSUI CHEMICALS INC (JP) | 2001-07-25 | — | — | EP | disclosed |
| US-5693396-A | NEAR INFRARED LIGHT ABSORBERS | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-12-02 | — | — | US | disclosed |
| EP-0719839-A2 | Phthalocyanine compounds and optical recording media comprising them | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-07-03 | — | — | EP | disclosed |