SCHEMBL9511960

SCHEMBL9511960

[CH2]C(=O)OCC#N

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
SCHEMBL22558222 0.77 ALDH1A1 (0.38)
SCHEMBL4442784 0.74
SCHEMBL4442787 0.74
SCHEMBL8589456 0.74
SCHEMBL10012365 0.74
SCHEMBL15083614 0.74
SCHEMBL9360783 0.72 ADRA2A (0.37)
SCHEMBL1562873 0.72
Ammonia Solution, Strong SCHEMBL2925853 0.72
SCHEMBL8201559 0.72

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063228-B1 DISPERSE DYES, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DISTRIB GMBH (DE) 2020-04-01 EP claimed
US-9567464-B2 Disperse dyes, their preparation and their use DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2017-02-14 US claimed
US-20160280922-A1 DISPERSE DYES, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2016-09-29 US claimed
EP-3063228-A2 DISPERSE DYES, THEIR PREPARATION AND THEIR USE DyStar Colours Distribution GmbH (DE) 2016-09-07 EP claimed
WO-2015062937-A2 DISPERSE DYES, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2015-05-07 WO claimed
EP-2868702-A1 Disperse dyes, their preparation and their use DyStar Colours Distribution GmbH (DE) 2015-05-06 EP claimed
EP-0417555-B1 Pentamethine dyes and derivatives BAYER AG (DE) 1993-11-03 EP claimed
US-5138070-A Laser transfer printing; opticalrecording media BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US claimed
US-5118814-A Pressure sensitive and heat sensitive recording media BAYER AKTIENGESELLSCHAFT (DE) 1992-06-02 US claimed
EP-0417555-A1 Pentamethine dyes and derivatives BAYER AG (DE) 1991-03-20 EP claimed
EP-0370198-A1 Tetraindolyl heptamethine derivatives BAYER AG (DE) 1990-05-30 EP claimed
EP-3063228-B1 DISPERSE DYES, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DISTRIB GMBH (DE) 2020-04-01 EP disclosed
US-9567464-B2 Disperse dyes, their preparation and their use DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2017-02-14 US disclosed
US-20160280922-A1 DISPERSE DYES, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DISTRIBUTION GMBH (DE) 2016-09-29 US disclosed
EP-3063228-A2 DISPERSE DYES, THEIR PREPARATION AND THEIR USE DyStar Colours Distribution GmbH (DE) 2016-09-07 EP disclosed
EP-0370198-A1 Tetraindolyl heptamethine derivatives BAYER AG (DE) 1990-05-30 EP disclosed
US-4841050-A Carbazole containing benzopyrans BASF AKTIENGESELLSCHAFT (DE) 1989-06-20 US disclosed
EP-0236973-B1 BENZOPYRANES AND THEIR USE IN A RECORDING SYSTEM BASF Aktiengesellschaft (DE) 1989-06-14 EP disclosed
EP-0304613-A1 Benzopyran derivatives BASF Aktiengesellschaft (DE) 1989-03-01 EP disclosed
EP-0236973-A2 Benzopyranes and their use in a recording system BASF Aktiengesellschaft (DE) 1987-09-16 EP disclosed