⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7871169 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL7872881 | 0.81 | — | — | |
| SCHEMBL7872219 | 0.80 | — | — | |
| SCHEMBL21022142 | 0.78 | METAP1 (0.36) | — | |
| SCHEMBL28143315 | 0.77 | OPRM1 (0.46) | — | |
| SCHEMBL28167893 | 0.76 | — | — | |
| SCHEMBL24555284 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL7872373 | 0.75 | — | — | |
| SCHEMBL23104958 | 0.75 | TSHR (0.37) | — | |
| SCHEMBL11824299 | 0.75 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-4328380-A | Substituted phenylpropyl halides | BASF AKTIENGESELLSCHAFT (DE) | 1982-05-04 | — | — | US | disclosed |
| EP-0009077-B1 | SUBSTITUTED PHENYLPROPYL HALIDES, THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1981-09-30 | — | — | EP | disclosed |
| US-4250123-A | CHEMICAL INTERMEDIATES FOR FUNGICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1981-02-10 | — | — | US | disclosed |
| EP-0009077-A1 | Substituted phenylpropyl halides, their preparation and use | BASF Aktiengesellschaft (DE) | 1980-04-02 | — | — | EP | disclosed |