SCHEMBL7094052

SCHEMBL7094052

C[C](C)C[CH]C(=O)O

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL8797296 0.77
SCHEMBL490729 0.73
SCHEMBL7571393 0.73
Ammonia Solution, Strong SCHEMBL9862076 0.71 ALDH1A1 (0.50)
SCHEMBL6945786 0.69
SCHEMBL753574 0.69
SCHEMBL19276 0.67
SCHEMBL7697611 0.65 TSHR (0.40)
SCHEMBL25384771 0.65
SCHEMBL2408504 0.62

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613313-B2 Aniline compound-containing hair dye composition and method of dyeing hair FUJI PHOTO FILM CO., LTD. (JP) 2003-09-02 US disclosed
US-20020197223-A1 ANILINE COMPOUND CONTAINING HAIR DYE COMPOSITION AND METHOD OF DYEING HAIR FUJIFILM CORPORATION (JP) 2002-12-26 US disclosed
EP-0807625-B1 4-(n,n-Dialkylamino)Aniline compounds, photographic processing composition containing the same and color image-forming method FUJI PHOTO FILM CO LTD (JP) 2002-08-21 EP disclosed
US-6169206-B1 4-(N,N-DIALKYLAMINO)ANILINE COMPOUNDS USEFUL AS DEVELOPING AGENTS FOR SILVER HALIDE COLOR PHOTOGRAPHY OR AS DYES OR INTERMEDIATES FUJI PHOTO FILM CO., LTD. (JP) 2001-01-02 US disclosed
US-6043006-A 4-(N,N-dialkylamino)aniline compound, photographic processing composition containing the same and color image-forming method FUJI PHOTO FILM CO., LTD. (JP) 2000-03-28 US disclosed
US-5994546-A 4-(N,N-DIALKYLAMINO)ANILINE COMPOUNDS HAVING A 4-N SUBSTITUENT WHICH IS A POLYETHYLENEOXY GROUP AND WHICH FORMS A CONDENSED RING WITH BENZENE RING FUJI PHOTO FILM CO., LTD. (JP) 1999-11-30 US disclosed
US-5773203-A 4-(N,N-dialkylamino)aniline compounds, photographic processing composition containing the same and color image-forming method FUJI PHOTO FILM CO., LTD. (JP) 1998-06-30 US disclosed
EP-0807625-A1 4-(n,n-Dialkylamino)Aniline compounds, photographic processing composition containing the same and color image-forming method FUJI PHOTO FILM CO., LTD. (JP) 1997-11-19 EP disclosed